data_1a1t_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 1a1t _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 ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 t30 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -60.99 -15.46 31.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 111.074 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.6 ptt85 -61.72 -12.47 16.76 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.455 ' ND2' HG12 ' A' ' 13' ' ' VAL . 21.3 p-10 -57.19 -20.82 29.01 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.464 1.102 . . . . 0.0 109.346 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -60.94 -13.09 13.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.274 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.3 -5.05 29.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.172 . . . . 0.0 110.263 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 12' ' ' THR . 15.6 ttpp -126.24 38.06 4.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.258 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.537 ' O ' ' CG2' ' A' ' 12' ' ' THR . 3.3 t 35.99 48.17 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 110.423 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.455 HG12 ' ND2' ' A' ' 8' ' ' ASN . 8.9 m -37.99 154.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.24 138.37 40.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.412 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 42.4 t -76.64 112.68 13.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 108.285 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -76.0 4.28 8.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -97.03 -63.98 1.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.442 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 25.5 p -86.62 -41.34 14.33 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.533 1.146 . . . . 0.0 108.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.538 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 104.72 29.01 5.46 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.037 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.33 -173.39 2.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 0.787 . . . . 0.0 109.352 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -133.23 121.41 22.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.43 -10.23 3.78 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.6 p-80 -158.71 156.89 30.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 0.771 . . . . 0.0 109.546 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.4 ' O ' ' N ' ' A' ' 28' ' ' CYS . 18.8 pt -106.9 161.96 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.462 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -49.83 -35.74 24.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.425 ' HA ' ' NH2' ' A' ' 32' ' ' ARG . 5.5 mmmt -59.93 -44.43 94.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.423 1.077 . . . . 0.0 109.279 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -96.81 12.82 30.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.462 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 46.2 t -85.01 135.3 34.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 108.254 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.66 -32.31 62.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.322 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.88 153.99 50.93 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 152.83 41.55 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 111.043 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.425 ' NH2' ' HA ' ' A' ' 26' ' ' LYS . 2.5 mpt_? -55.06 106.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -134.54 -176.69 4.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -144.36 51.76 1.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.463 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -90.7 118.68 5.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.577 1.173 . . . . 0.0 111.057 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.423 ' C ' ' H ' ' A' ' 38' ' ' LYS . 11.5 t -55.74 120.4 7.24 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.553 ' CE3' ' HG3' ' A' ' 46' ' ' MET . 0.0 OUTLIER -83.7 39.46 0.68 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 0.0 107.999 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.445 ' CG ' ' SD ' ' A' ' 46' ' ' MET . 1.5 tmtm? -133.83 -49.14 0.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.556 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 12.6 p -109.64 -32.07 7.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 108.286 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.19 22.63 19.29 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.438 1.086 . . . . 0.0 111.063 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.527 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 9.2 tttt -94.44 128.35 40.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 0.751 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.463 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.4 OUTLIER -87.74 113.12 23.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.08 . . . . 0.0 110.268 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 149.61 -53.26 0.51 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.556 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 23.3 p-80 -96.97 179.83 4.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.58 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -129.46 164.57 23.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.553 ' HG3' ' CE3' ' A' ' 37' ' ' TRP . 0.1 OUTLIER -51.35 -46.03 62.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 111.022 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp -54.93 -33.32 62.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.82 34.01 5.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.465 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 36.6 t -57.58 110.89 0.96 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 0.0 108.296 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.434 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.9 t30 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -59.85 -14.21 14.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.421 ' HB3' ' NH2' ' A' ' 10' ' ' ARG . 85.7 mtm-85 -61.25 -11.92 11.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.445 ' ND2' HG12 ' A' ' 13' ' ' VAL . 25.9 p-10 -56.66 -19.94 18.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -61.6 -12.84 17.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.421 ' NH2' ' HB3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -65.69 -15.6 62.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 12' ' ' THR . 10.2 ttmm -117.05 35.14 4.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.52 ' CG2' ' O ' ' A' ' 12' ' ' THR . 4.5 t 36.69 49.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.405 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.445 HG12 ' ND2' ' A' ' 8' ' ' ASN . 9.1 m -37.17 154.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.37 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.11 140.85 37.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.352 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.407 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 42.0 t -75.74 115.79 15.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 108.371 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -79.36 9.49 4.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.958 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.439 ' ND2' ' HB2' ' A' ' 30' ' ' ALA . 49.6 t30 -103.11 -58.94 1.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.469 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 25.3 p -92.72 -38.41 11.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 108.309 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.459 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 102.45 27.6 6.75 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.55 1.156 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -94.31 -173.94 3.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 0.779 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -134.16 119.94 19.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.79 -8.62 4.23 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.5 p-80 -156.76 157.73 35.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 109.549 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.3 pt -108.43 158.65 8.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.472 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -49.09 -35.62 16.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -59.56 -45.7 91.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -94.76 11.22 32.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.472 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 48.2 t -83.49 129.58 34.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 108.334 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -71.86 -30.33 65.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 110.379 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.439 ' HB2' ' ND2' ' A' ' 17' ' ' ASN . . . -57.61 159.25 9.76 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 144.31 29.9 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.622 1.854 . . . . 0.0 110.946 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.5 mmm-85 -57.03 108.32 0.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.17 . . . . 0.0 110.301 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -141.83 -175.12 4.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -138.76 48.94 1.89 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.536 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -82.74 116.81 4.28 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.475 1.11 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.436 ' C ' ' H ' ' A' ' 38' ' ' LYS . 26.1 t -54.95 122.61 11.25 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.469 ' CD1' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -84.21 36.23 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.436 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -132.78 -49.42 0.89 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.155 . . . . 0.0 109.331 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.544 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.0 p -110.29 -30.9 7.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 108.28 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.59 22.41 24.05 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -99.02 119.37 37.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.536 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 13.0 pt-20 -79.73 121.99 26.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.37 -51.12 0.64 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.491 1.12 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.544 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 25.8 p-80 -99.39 -177.44 3.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 0.766 . . . . 0.0 109.642 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -126.79 154.76 43.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.1 ttp -50.56 -39.95 50.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.57 -39.63 77.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -111.5 32.08 5.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.448 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.6 t -45.31 111.8 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 108.33 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.7 p . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.343 -179.945 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.8 t30 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.576 ' CE1' ' OD1' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -58.58 -13.85 6.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 111.048 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -60.09 -10.15 4.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.466 ' ND2' HG12 ' A' ' 13' ' ' VAL . 22.2 p-10 -56.02 -24.4 38.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.359 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -59.24 -13.75 8.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.9 ptm85 -67.53 -8.71 36.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.437 ' O ' ' CG ' ' A' ' 11' ' ' LYS . 11.1 tttp -123.65 38.73 4.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.548 ' O ' ' CG2' ' A' ' 12' ' ' THR . 2.6 t 36.34 48.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.584 1.178 . . . . 0.0 110.389 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.466 HG12 ' ND2' ' A' ' 8' ' ' ASN . 6.4 m -37.63 154.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -102.64 140.23 37.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.405 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 42.5 t -80.81 109.69 15.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 1.176 . . . . 0.0 108.297 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -73.65 -0.58 15.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.953 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -91.08 -67.49 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.369 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -81.69 -44.27 17.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.404 1.065 . . . . 0.0 108.301 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.532 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 107.35 30.47 4.11 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.75 -172.55 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -132.4 129.57 39.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 110.326 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.0 -0.86 6.7 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.5 p-80 -168.54 156.36 8.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.418 0.717 . . . . 0.0 109.651 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.436 ' CD1' ' HB2' ' A' ' 26' ' ' LYS . 12.9 pt -107.17 165.03 4.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.601 1.188 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.43 ' O ' ' NH2' ' A' ' 32' ' ' ARG . . . -49.36 -35.41 18.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.17 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.436 ' HB2' ' CD1' ' A' ' 24' ' ' ILE . 6.5 mmtt -60.29 -45.45 93.32 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.576 ' OD1' ' CE1' ' A' ' 6' ' ' PHE . 80.4 m-20 -92.77 11.95 25.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.405 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 40.8 t -86.96 132.73 33.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 108.378 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 -75.76 -26.07 57.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 110.288 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.03 152.9 90.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 157.28 42.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.529 1.805 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.43 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -54.74 106.22 0.2 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.32 177.08 7.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.52 51.89 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.49 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -94.85 128.57 9.56 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.447 ' C ' ' H ' ' A' ' 38' ' ' LYS . 18.6 t -59.98 120.36 9.52 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.532 ' CG ' ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -82.98 36.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.447 ' H ' ' C ' ' A' ' 36' ' ' CYS . 2.4 tmtp? -132.55 -49.58 0.91 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.563 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 9.1 p -110.28 -32.78 6.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 108.352 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.49 18.92 24.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -91.78 126.82 37.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.783 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.49 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 15.8 pt-20 -86.14 121.71 29.13 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.76 -47.59 0.91 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.563 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 11.5 p-80 -102.77 168.46 9.22 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.513 0.772 . . . . 0.0 109.556 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -116.64 160.43 20.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.264 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.6 ttm -51.72 -40.11 59.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -56.6 -37.98 71.4 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.549 1.156 . . . . 0.0 109.367 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -111.69 29.92 7.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.429 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 25.9 t -45.35 115.84 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 108.271 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 42.5 p . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.575 1.172 . . . . 0.0 110.42 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 t30 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -59.94 -14.71 17.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.488 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -59.62 -14.51 13.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.437 ' HB2' ' CG1' ' A' ' 13' ' ' VAL . 30.4 p-10 -57.72 -36.73 72.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.424 ' N ' ' OD1' ' A' ' 8' ' ' ASN . 65.6 mt-30 -59.21 -11.67 4.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.488 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 8.8 ptt85 -55.61 -17.39 5.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 110.198 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.463 ' O ' ' HB ' ' A' ' 12' ' ' THR . 12.1 ttpp -108.82 -85.84 0.52 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.595 ' O ' ' CG2' ' A' ' 12' ' ' THR . 1.2 t -179.85 45.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.377 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.437 ' CG1' ' HB2' ' A' ' 8' ' ' ASN . 11.2 m -40.15 154.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.39 143.46 32.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.8 t -83.29 111.81 19.32 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.536 1.147 . . . . 0.0 108.333 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.435 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 16.6 m-85 -75.76 3.11 10.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -94.96 -61.96 1.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -88.99 -43.86 10.83 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.503 1.127 . . . . 0.0 108.338 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.531 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 107.9 30.36 4.0 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.98 -174.52 2.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -132.91 118.28 18.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.4 -26.93 2.27 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.3 p-80 -140.32 158.54 43.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.572 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 28' ' ' CYS . 15.4 pt -107.86 161.11 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.477 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -49.63 -36.62 25.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -59.59 -43.89 93.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -97.38 12.21 33.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.477 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 46.7 t -84.01 135.44 34.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.42 -32.55 60.76 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.57 1.169 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.01 156.48 13.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 109.326 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.12 154.12 41.71 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.494 1.786 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.459 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 7.9 mmp_? -56.67 104.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -136.91 -175.94 4.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.0 tttm -147.93 54.64 1.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.257 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.543 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -90.71 133.25 11.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.453 ' C ' ' H ' ' A' ' 38' ' ' LYS . 39.8 t -61.93 123.95 19.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.531 ' CG ' ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -83.77 32.5 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 108.07 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.453 ' H ' ' C ' ' A' ' 36' ' ' CYS . 1.3 tptt -131.61 -49.03 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.532 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 12.9 p -110.83 -33.29 6.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 108.272 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.39 22.13 17.72 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.486 1.117 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.524 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 1.2 tptt -94.75 123.41 38.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.543 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -82.57 121.19 26.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.36 -48.64 0.82 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.532 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 14.9 p-80 -102.54 169.32 8.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 109.619 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -116.98 156.23 27.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.423 ' HG3' ' N ' ' A' ' 47' ' ' LYS . 3.2 ppp? -50.99 -32.03 19.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.536 1.148 . . . . 0.0 111.047 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.423 ' N ' ' HG3' ' A' ' 46' ' ' MET . 0.0 OUTLIER -57.75 -42.12 83.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -110.83 27.81 9.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 32.5 t -43.27 111.93 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 108.309 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.0 p . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 110.395 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.3 t30 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 6' ' ' PHE . 4.8 t80 -61.21 -16.84 49.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.418 ' NH1' ' HB2' ' A' ' 7' ' ' ARG . 8.2 mtm105 -60.69 -13.06 12.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.254 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.462 ' ND2' HG12 ' A' ' 13' ' ' VAL . 20.2 p-10 -56.41 -18.78 12.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.388 1.055 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -61.82 -11.9 14.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 ptm85 -78.06 1.84 19.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.263 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 12' ' ' THR . 9.5 ttpp -130.11 38.33 3.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.529 ' CG2' ' O ' ' A' ' 12' ' ' THR . 3.1 t 35.6 47.79 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.573 1.171 . . . . 0.0 110.451 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.462 HG12 ' ND2' ' A' ' 8' ' ' ASN . 10.7 m -40.07 154.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.23 137.44 45.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.587 1.18 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 23' ' ' HIS . 44.3 t -77.83 112.61 14.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 108.277 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.453 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 25.4 m-85 -76.85 6.47 6.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -99.43 -57.78 2.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 37' ' ' TRP . 28.3 p -94.96 -43.39 8.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 108.244 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.5 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 105.95 31.61 4.1 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.428 1.08 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -117.2 141.48 48.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 109.338 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.79 146.4 27.38 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.28 -27.45 5.81 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 110.951 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.409 ' O ' ' HB2' ' A' ' 15' ' ' CYS . 21.1 p-80 -147.27 157.74 43.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 0.773 . . . . 0.0 109.59 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.448 HD13 ' HB2' ' A' ' 26' ' ' LYS . 15.8 pt -107.19 159.6 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.449 ' O ' ' NH2' ' A' ' 32' ' ' ARG . . . -46.58 -37.12 7.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.448 ' HB2' HD13 ' A' ' 24' ' ' ILE . 4.8 mmmt -59.87 -47.84 84.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.249 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -91.41 12.07 21.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 25' ' ' ALA . 48.4 t -83.59 137.07 33.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 108.283 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -29.69 39.43 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.436 1.085 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.08 155.7 42.83 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.234 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 157.14 43.15 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.507 1.793 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.449 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 6.4 mmp_? -57.38 105.91 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -134.44 -176.92 4.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -149.62 54.66 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.493 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -94.4 129.95 10.1 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.582 1.176 . . . . 0.0 111.015 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.435 ' C ' ' H ' ' A' ' 38' ' ' LYS . 42.0 t -61.08 120.46 10.33 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.5 ' CG ' ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -83.95 32.71 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -129.69 -48.49 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.252 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.553 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 9.3 p -110.06 -33.19 6.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.08 . . . . 0.0 108.266 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.7 19.69 24.07 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.531 1.144 . . . . 0.0 111.063 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.578 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 1.0 OUTLIER -92.89 126.12 37.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.76 . . . . 0.0 109.246 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.493 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 4.5 pt-20 -86.48 121.29 28.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.147 . . . . 0.0 110.366 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.96 -47.35 0.92 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.461 1.1 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 11.1 p-80 -102.9 176.34 5.18 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.423 0.719 . . . . 0.0 109.536 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' A' ' 49' ' ' CYS . 4.1 pt20 -127.2 156.2 42.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.438 1.086 . . . . 0.0 110.253 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.8 ttp -50.62 -42.69 56.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.6 ttpp -56.75 -37.59 71.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.103 . . . . 0.0 109.316 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.81 34.77 4.77 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.514 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 37.8 t -52.7 112.32 0.81 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.581 1.175 . . . . 0.0 108.286 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 0.0 110.417 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.5 t30 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -60.29 -15.58 26.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -60.22 -13.07 10.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.465 ' ND2' HG12 ' A' ' 13' ' ' VAL . 10.8 p-10 -56.16 -17.6 7.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.462 ' HG2' ' CG2' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -58.01 -15.32 8.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -61.0 -12.88 12.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 110.332 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.424 ' O ' HG21 ' A' ' 12' ' ' THR . 13.6 tttp -120.62 37.92 4.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.511 ' O ' ' CG2' ' A' ' 12' ' ' THR . 3.9 t 37.75 48.0 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.397 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.465 HG12 ' ND2' ' A' ' 8' ' ' ASN . 14.4 m -38.75 156.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.34 135.73 48.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.416 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 41.8 t -75.52 112.04 11.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 108.257 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.52 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 33.6 m-85 -76.92 6.66 5.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -98.1 -58.33 2.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.435 ' O ' ' HB3' ' A' ' 37' ' ' TRP . 28.2 p -95.9 -42.08 8.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.083 . . . . 0.0 108.292 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.504 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 106.28 29.76 4.69 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.94 139.3 48.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 0.783 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.33 139.7 30.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.335 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.77 9.31 8.39 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.411 1.069 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -176.3 159.4 2.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 0.793 . . . . 0.0 109.581 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 26' ' ' LYS . 5.8 pt -112.39 157.67 13.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.461 ' O ' ' NH2' ' A' ' 32' ' ' ARG . . . -49.76 -37.88 31.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.467 ' HB2' ' CD1' ' A' ' 24' ' ' ILE . 15.2 mmmt -58.64 -44.0 89.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -91.94 2.52 56.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.376 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.457 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 49.4 t -77.08 131.55 38.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 108.317 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.38 -27.27 60.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 110.303 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.44 156.58 41.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 157.15 43.2 Favored 'Trans proline' 0 C--N 1.358 1.066 0 O-C-N 124.567 1.825 . . . . 0.0 111.015 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.461 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 7.2 mmp_? -59.06 104.58 0.25 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.99 -177.77 4.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.6 pttt -147.97 53.73 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.523 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -91.51 129.29 9.74 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.447 1.092 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.457 ' C ' ' H ' ' A' ' 38' ' ' LYS . 16.8 t -61.82 119.05 8.02 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.52 ' CZ2' ' HA ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -82.34 37.27 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 107.997 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.457 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -132.24 -49.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.349 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.533 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.9 p -110.61 -32.49 6.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 108.33 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.72 20.71 18.39 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.436 1.085 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.562 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 1.1 tmtp? -93.79 125.63 38.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 0.777 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.523 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 8.3 pt-20 -85.61 119.86 26.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.254 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.16 -48.77 0.8 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.562 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 13.9 p-80 -101.7 172.88 6.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.764 . . . . 0.0 109.588 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -122.27 159.08 28.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 110.249 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.2 tmm? -50.19 -36.73 31.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.169 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -56.72 -41.68 77.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -112.4 29.96 7.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.505 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 37.8 t -42.42 112.36 0.34 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 108.334 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.4 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.419 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.4 t30 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -60.49 -15.83 30.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.485 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 7.8 ptm180 -59.68 -13.44 9.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.465 ' HB2' ' CG1' ' A' ' 13' ' ' VAL . 25.0 p-10 -57.46 -36.47 71.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.474 ' HG2' ' CG2' ' A' ' 13' ' ' VAL . 62.0 mt-30 -59.02 -11.13 3.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 110.346 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 9.2 ptt85 -56.45 -16.8 6.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.337 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.477 ' O ' ' HB ' ' A' ' 12' ' ' THR . 13.1 ttpp -109.08 -84.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.601 ' O ' ' CG2' ' A' ' 12' ' ' THR . 1.3 t 179.31 45.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.371 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.474 ' CG2' ' HG2' ' A' ' 9' ' ' GLN . 13.8 m -41.13 154.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.23 136.32 44.05 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.475 1.109 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.401 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 41.8 t -73.32 113.9 10.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 108.284 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -77.9 6.09 8.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -98.26 -58.83 1.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 26.3 p -92.57 -42.14 9.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.588 1.18 . . . . 0.0 108.289 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.77 29.46 4.66 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -99.72 -171.71 2.11 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 0.747 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -134.8 126.52 29.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.268 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.56 -1.28 6.45 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.477 1.11 . . . . 0.0 110.973 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -164.51 157.62 17.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 0.767 . . . . 0.0 109.626 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.426 HG21 ' CG2' ' A' ' 13' ' ' VAL . 12.6 pt -109.0 160.85 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.2 -37.55 16.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -60.45 -45.51 93.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -93.41 13.92 20.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.1 t -85.64 133.41 34.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 108.253 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -31.22 63.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.261 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.35 158.62 36.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 149.84 37.31 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.422 1.748 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.3 mmm-85 -58.6 108.68 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.34 -175.51 3.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -145.87 52.41 1.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.459 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -95.97 125.59 8.47 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.588 1.18 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.415 ' C ' ' H ' ' A' ' 38' ' ' LYS . 29.4 t -61.67 118.84 7.62 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.12 36.51 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.415 ' H ' ' C ' ' A' ' 36' ' ' CYS . 4.3 tptt -130.63 -48.47 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.546 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 14.1 p -109.56 -31.53 7.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 108.301 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.38 22.87 20.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.117 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.535 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.4 OUTLIER -97.34 126.84 42.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 0.764 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.459 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 12.9 pt-20 -86.9 124.07 32.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 110.317 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.57 -46.07 1.04 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.546 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 13.8 p-80 -105.09 178.05 4.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 0.757 . . . . 0.0 109.631 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -129.81 158.89 38.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.244 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -51.64 -43.56 62.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -55.6 -34.46 64.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -120.05 37.29 4.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.517 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 35.3 t -56.94 111.6 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 108.264 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 110.396 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.3 t30 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.497 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 3.3 t80 -59.96 -15.4 21.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.403 ' O ' ' HB3' ' A' ' 10' ' ' ARG . 15.9 ptt180 -60.15 -13.54 12.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.427 ' ND2' HG12 ' A' ' 13' ' ' VAL . 26.6 p-10 -57.4 -34.8 69.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.44 ' OE1' ' ND2' ' A' ' 27' ' ' ASN . 29.9 mt-30 -58.78 -11.59 3.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.359 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.492 ' CZ ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -54.29 -18.7 4.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 110.29 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.472 ' O ' ' HB ' ' A' ' 12' ' ' THR . 3.6 ttpt -107.98 -85.44 0.52 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.387 1.054 . . . . 0.0 109.326 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.598 ' CG2' ' O ' ' A' ' 12' ' ' THR . 1.3 t 179.57 45.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.427 HG12 ' ND2' ' A' ' 8' ' ' ASN . 9.9 m -39.6 154.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -105.61 139.1 40.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.413 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 42.0 t -77.9 110.01 12.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 108.296 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.434 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 10.1 m-85 -72.38 -1.02 13.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -91.0 -67.33 0.86 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.595 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 27.8 p -82.6 -45.4 14.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 108.327 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 108.54 32.13 3.26 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.19 -173.13 2.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 0.776 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -132.47 125.06 29.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.074 . . . . 0.0 110.346 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.11 -23.01 3.53 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -145.5 157.92 43.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.528 0.781 . . . . 0.0 109.606 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.552 ' CD1' ' HG3' ' A' ' 26' ' ' LYS . 10.1 pt -107.63 163.23 5.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.451 ' O ' ' NH2' ' A' ' 32' ' ' ARG . . . -46.62 -37.2 7.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.6 1.187 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.552 ' HG3' ' CD1' ' A' ' 24' ' ' ILE . 8.7 mtpt -59.58 -47.96 83.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.44 ' ND2' ' OE1' ' A' ' 9' ' ' GLN . 77.7 m-20 -92.59 17.78 9.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.347 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.1 t -89.57 130.98 35.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 108.305 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.15 -29.0 65.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.78 154.12 92.46 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 153.21 41.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.451 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -54.68 108.62 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.275 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.11 -176.46 4.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.102 . . . . 0.0 109.268 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.4 51.18 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.374 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.467 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -89.54 119.99 5.65 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.417 ' C ' ' H ' ' A' ' 38' ' ' LYS . 14.5 t -57.53 120.95 9.18 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.595 ' CD1' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -84.41 38.63 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 107.991 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.446 ' HB2' ' CG ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -133.45 -49.33 0.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.557 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.5 p -109.26 -31.64 7.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 108.235 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.64 21.89 22.78 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.412 1.07 . . . . 0.0 111.041 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.508 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -94.38 127.93 40.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 0.783 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.467 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 1.6 pt-20 -87.47 115.1 24.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.79 -52.25 0.55 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.127 . . . . 0.0 111.033 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.557 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 23.1 p-80 -98.2 -177.35 3.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.743 . . . . 0.0 109.582 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -132.7 163.12 29.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.446 ' CG ' ' HB2' ' A' ' 38' ' ' LYS . 3.8 mtp -51.37 -45.75 62.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -54.98 -34.06 63.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -117.26 34.77 4.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.466 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 35.9 t -56.82 111.23 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 108.354 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.465 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 t30 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -59.44 -15.11 15.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 111.039 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.503 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 20.1 mtm105 -59.8 -12.3 7.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 110.275 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.46 ' HB2' ' CG1' ' A' ' 13' ' ' VAL . 30.6 p-10 -57.39 -36.35 71.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.239 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.418 ' N ' ' OD1' ' A' ' 8' ' ' ASN . 6.1 mt-30 -59.29 -9.97 2.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.503 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 13.4 ptt180 -57.75 -15.9 9.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.349 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.512 ' O ' ' HB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -110.87 -85.1 0.56 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.429 1.081 . . . . 0.0 109.29 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.565 ' CG2' ' O ' ' A' ' 12' ' ' THR . 1.9 t 179.04 46.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.441 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.46 ' CG1' ' HB2' ' A' ' 8' ' ' ASN . 10.1 m -40.44 154.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.407 ' HE3' ' CZ3' ' A' ' 37' ' ' TRP . 3.1 tttt -105.97 139.56 40.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 42.2 t -78.63 114.73 17.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 108.322 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.441 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 7.7 m-85 -81.01 10.91 4.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.428 ' ND2' ' HB2' ' A' ' 30' ' ' ALA . 47.3 t30 -104.6 -52.05 2.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.364 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -100.82 -40.67 7.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 108.331 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.441 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 103.53 28.87 5.85 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.438 1.086 . . . . 0.0 111.038 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -114.51 140.64 48.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 0.794 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -84.33 143.89 29.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.78 0.82 11.96 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.584 1.178 . . . . 0.0 111.028 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 22.9 p-80 -175.63 157.65 2.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 109.566 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 28' ' ' CYS . 10.2 pt -108.97 160.7 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.439 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -48.99 -37.23 19.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.358 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -59.73 -44.82 93.61 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.403 ' ND2' HG12 ' A' ' 24' ' ' ILE . 80.3 m-20 -94.15 10.54 33.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.439 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 42.3 t -83.17 135.47 34.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 108.328 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.74 -31.38 59.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.428 ' HB2' ' ND2' ' A' ' 17' ' ' ASN . . . -58.88 155.6 30.69 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.49 42.39 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.537 1.809 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.96 106.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -131.31 -176.3 3.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.41 53.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.45 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -95.16 123.9 7.78 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.513 1.133 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.423 ' C ' ' H ' ' A' ' 38' ' ' LYS . 30.0 t -60.56 119.17 7.56 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.441 ' CG ' ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -84.68 36.32 0.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 108.04 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.423 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -130.79 -48.94 1.04 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.544 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 12.2 p -109.09 -31.64 7.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 108.292 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.46 22.14 22.56 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.464 1.102 . . . . 0.0 111.044 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.536 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -94.32 126.97 39.91 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 0.753 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.45 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.37 114.79 24.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 146.95 -51.65 0.57 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.565 1.166 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.544 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 20.7 p-80 -98.99 -177.97 3.8 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 0.773 . . . . 0.0 109.532 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -133.9 159.45 40.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.593 1.183 . . . . 0.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.5 tpt -52.23 -40.72 62.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.07 -33.21 56.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -126.38 40.64 3.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.258 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.469 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 39.3 t -55.62 110.62 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.324 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.414 1.071 . . . . 0.0 110.368 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 t30 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.515 ' CZ ' ' OE1' ' A' ' 9' ' ' GLN . 2.2 t80 -59.56 -17.03 29.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.95 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.429 ' NH1' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -61.04 -12.14 10.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.485 ' ND2' HG12 ' A' ' 13' ' ' VAL . 20.1 p-10 -56.89 -22.57 38.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.515 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 0.7 OUTLIER -61.15 -11.24 8.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.427 ' CZ ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -71.14 -5.03 28.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.283 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 12' ' ' THR . 21.5 tttp -126.24 40.01 3.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.316 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.526 ' CG2' ' O ' ' A' ' 12' ' ' THR . 3.7 t 36.08 48.39 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 110.414 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.485 HG12 ' ND2' ' A' ' 8' ' ' ASN . 10.9 m -38.34 155.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.464 1.102 . . . . 0.0 109.228 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -109.12 134.59 51.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.418 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 42.0 t -70.69 111.05 5.87 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.563 1.164 . . . . 0.0 108.256 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.43 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 11.1 m-85 -74.99 5.66 4.95 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -97.79 -62.41 1.25 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.401 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 26.9 p -91.39 -42.5 10.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 108.327 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 106.54 28.33 5.16 Favored Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.502 1.127 . . . . 0.0 111.006 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -109.76 136.61 48.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.433 0.725 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.428 ' HA ' ' HA ' ' A' ' 14' ' ' LYS . 0.8 OUTLIER -83.24 139.04 33.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.386 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.69 9.36 8.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.459 1.099 . . . . 0.0 111.013 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.5 p-80 -176.44 159.48 1.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 0.791 . . . . 0.0 109.564 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 28' ' ' CYS . 6.3 pt -113.33 158.3 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.441 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -49.27 -37.95 25.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.428 ' HB2' ' CD1' ' A' ' 24' ' ' ILE . 7.4 mmmt -59.12 -44.39 92.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -92.73 5.98 49.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 24' ' ' ILE . 41.8 t -79.79 136.57 36.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 108.296 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -77.09 -31.68 56.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.44 155.09 39.72 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 155.2 42.65 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.42 107.01 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.349 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.08 -176.18 3.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.51 54.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.458 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -97.98 126.48 8.9 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.434 ' C ' ' H ' ' A' ' 38' ' ' LYS . 12.2 t -61.44 117.79 6.15 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.43 ' CZ2' ' HA ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -82.99 39.05 0.62 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.434 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -132.26 -49.28 0.92 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.525 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 14.2 p -110.01 -32.39 7.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 108.308 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.03 23.07 15.72 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.441 1.088 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.548 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -95.95 126.15 40.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 0.734 . . . . 0.0 109.327 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.458 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -85.91 119.63 26.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.32 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.35 -48.81 0.79 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.548 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 17.1 p-80 -102.62 175.56 5.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 0.786 . . . . 0.0 109.58 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.41 ' NE2' ' HE3' ' A' ' 47' ' ' LYS . 2.3 pt20 -126.28 163.26 23.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.7 ttt -51.55 -46.47 63.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.41 ' HE3' ' NE2' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -54.4 -32.29 56.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -118.4 34.93 4.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.507 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.7 t -58.73 111.74 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 108.341 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.393 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.3 t30 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 6' ' ' PHE . 5.0 t80 -60.61 -15.95 33.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.3 mtt180 -61.17 -13.03 14.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.225 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.46 ' ND2' HG12 ' A' ' 13' ' ' VAL . 11.8 p-10 -56.39 -20.86 21.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -58.51 -14.93 9.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 ptt-85 -59.46 -14.91 14.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.58 ' O ' HG21 ' A' ' 12' ' ' THR . 0.0 OUTLIER -117.46 24.42 11.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.58 HG21 ' O ' ' A' ' 11' ' ' LYS . 3.9 t 51.1 47.11 25.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.437 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.46 HG12 ' ND2' ' A' ' 8' ' ' ASN . 25.4 m -37.03 154.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.53 141.78 36.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.406 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 41.9 t -77.09 111.4 12.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 108.343 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -73.11 1.01 9.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -93.39 -66.98 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.484 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 26.4 p -83.53 -43.91 15.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 108.306 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.488 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 107.71 30.13 4.14 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -99.23 -172.31 2.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 0.776 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -134.85 128.82 33.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.233 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.21 5.86 7.8 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.582 1.176 . . . . 0.0 111.033 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -166.54 159.02 13.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 0.79 . . . . 0.0 109.566 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.459 ' CG2' HG23 ' A' ' 13' ' ' VAL . 7.3 pt -111.07 159.15 11.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.455 ' O ' ' NH2' ' A' ' 32' ' ' ARG . . . -49.33 -38.22 27.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.419 ' HB2' ' CD1' ' A' ' 24' ' ' ILE . 6.1 mmmt -59.03 -43.59 91.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -91.58 5.65 48.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.078 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.419 ' HB2' ' HA ' ' A' ' 25' ' ' ALA . 47.4 t -79.97 139.65 36.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 108.273 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.9 -31.05 35.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.404 ' HB1' ' SG ' ' A' ' 28' ' ' CYS . . . -61.0 153.46 65.96 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 158.61 42.15 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.502 1.791 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.455 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -55.68 105.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.03 177.44 7.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 109.227 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.21 52.52 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.47 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -98.21 123.11 7.74 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.421 ' C ' ' H ' ' A' ' 38' ' ' LYS . 26.3 t -56.77 119.02 5.49 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.488 ' CG ' ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -83.99 36.43 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.421 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.3 OUTLIER -130.9 -48.93 1.03 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.532 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.4 p -109.74 -32.3 7.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 108.266 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.84 22.38 18.28 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.544 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 4.2 tttt -95.81 127.3 41.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 0.722 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.47 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.49 119.95 28.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 110.312 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.66 -48.88 0.78 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.598 1.186 . . . . 0.0 111.038 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.544 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 15.7 p-80 -101.28 -179.65 4.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 0.788 . . . . 0.0 109.619 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 49' ' ' CYS . 5.1 pt20 -129.2 158.18 39.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.362 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.3 ttt -50.57 -46.56 57.76 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -35.12 66.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.01 31.83 6.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.233 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.517 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.8 t -52.11 111.78 0.68 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 108.316 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.379 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.3 t30 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.41 ' CZ ' ' OE1' ' A' ' 9' ' ' GLN . 20.4 t80 -61.56 -18.35 58.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -60.36 -12.6 9.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.235 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.468 ' ND2' HG12 ' A' ' 13' ' ' VAL . 20.4 p-10 -55.96 -19.26 11.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.41 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 53.0 mt-30 -61.54 -11.43 11.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.4 1.062 . . . . 0.0 110.374 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -79.55 3.62 18.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 110.321 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 10' ' ' ARG . 6.6 tttp -131.92 38.67 3.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.528 ' CG2' ' O ' ' A' ' 12' ' ' THR . 3.0 t 35.5 47.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.468 HG12 ' ND2' ' A' ' 8' ' ' ASN . 9.7 m -39.96 154.71 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -106.32 138.9 41.67 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.438 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 42.3 t -78.28 114.35 17.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 108.342 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.445 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 6.5 m-85 -77.81 8.23 4.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -102.25 -58.09 1.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.075 . . . . 0.0 109.242 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.447 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 24.8 p -94.9 -41.33 9.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.445 1.091 . . . . 0.0 108.378 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.491 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 103.67 28.21 6.07 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -110.71 141.36 44.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.767 . . . . 0.0 109.278 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -84.72 141.75 30.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.376 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.29 -24.7 5.28 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.118 . . . . 0.0 110.948 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -150.65 157.98 43.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 0.777 . . . . 0.0 109.526 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 28' ' ' CYS . 12.5 pt -108.21 159.9 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.479 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -48.91 -36.8 18.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -59.37 -45.41 91.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -97.34 14.37 26.4 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.479 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 53.5 t -83.65 145.92 28.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 108.313 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -84.79 -36.88 21.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.94 155.19 8.58 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 155.04 42.51 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.475 1.776 . . . . 0.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.422 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 4.2 mmp_? -54.85 103.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.354 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.22 -176.78 4.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.71 52.76 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.486 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -91.06 121.19 6.19 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.547 1.154 . . . . 0.0 110.961 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.42 ' C ' ' H ' ' A' ' 38' ' ' LYS . 18.0 t -58.06 119.38 6.69 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.491 ' CG ' ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -83.93 37.55 0.6 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 107.982 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.42 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -131.99 -49.24 0.94 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.564 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.6 p -110.23 -31.72 7.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 108.269 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.45 22.9 20.57 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.549 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 1.5 tttt -95.28 121.47 36.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.398 0.705 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.486 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -81.5 117.44 21.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.17 -50.32 0.67 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.541 1.151 . . . . 0.0 111.045 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.564 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 16.6 p-80 -101.01 175.28 5.65 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.453 0.737 . . . . 0.0 109.532 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -124.9 162.15 25.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.9 ttm -51.91 -45.45 64.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.455 1.097 . . . . 0.0 111.05 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -55.18 -34.29 63.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.23 33.88 5.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.485 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 39.3 t -56.66 112.04 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 108.228 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.0 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.385 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.462 ' CD1' ' C ' ' A' ' 6' ' ' PHE . 4.4 t80 -55.43 -27.52 48.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -15.0 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.358 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.473 ' HB2' ' CG1' ' A' ' 13' ' ' VAL . 21.1 p-10 -57.01 -17.31 9.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -59.55 -14.31 12.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.497 ' CZ ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -81.02 5.85 15.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -131.06 37.01 3.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.53 ' CG2' ' O ' ' A' ' 12' ' ' THR . 2.7 t 34.71 46.61 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.42 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 8' ' ' ASN . 11.3 m -41.83 154.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.511 ' HE3' ' CZ3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -106.12 140.18 39.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.426 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 43.2 t -80.21 112.48 17.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 108.26 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -74.85 6.74 3.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.431 ' ND2' ' HB2' ' A' ' 30' ' ' ALA . 46.1 t30 -101.14 -64.52 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.404 ' O ' ' HB3' ' A' ' 37' ' ' TRP . 27.2 p -87.12 -41.35 13.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.587 1.179 . . . . 0.0 108.311 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.438 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 102.29 31.07 5.42 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.459 1.099 . . . . 0.0 111.054 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.21 143.08 45.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.407 0.71 . . . . 0.0 109.297 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 12' ' ' THR . 1.4 mt-10 -85.95 141.65 29.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.68 -28.74 4.38 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 22.7 p-80 -146.04 158.32 43.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.604 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.431 ' CG2' HG23 ' A' ' 13' ' ' VAL . 15.3 pt -107.94 159.54 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.458 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -48.49 -36.21 14.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -59.45 -46.12 89.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -93.39 9.72 35.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.458 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 48.5 t -83.15 125.86 31.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 108.26 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.424 ' HG2' ' N ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -72.93 -23.69 60.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.442 1.089 . . . . 0.0 110.318 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.431 ' HB2' ' ND2' ' A' ' 17' ' ' ASN . . . -63.2 155.24 74.78 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 151.61 39.64 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.45 1.763 . . . . 0.0 111.041 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.8 mmm-85 -57.34 108.87 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.6 -175.97 3.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -147.27 53.47 1.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.481 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -95.81 124.49 8.05 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.571 1.169 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.437 ' C ' ' H ' ' A' ' 38' ' ' LYS . 14.6 t -58.7 117.89 5.07 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.511 ' CZ3' ' HE3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -82.87 38.21 0.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 107.979 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.437 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -131.77 -49.33 0.96 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.519 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.4 p -109.96 -32.99 6.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 108.263 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.49 22.39 14.53 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.557 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 1.8 tttt -95.42 127.84 41.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 0.756 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.481 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 1.9 pt-20 -87.67 120.19 28.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.59 -48.27 0.83 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.442 1.089 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.557 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 15.0 p-80 -102.38 177.0 4.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 0.73 . . . . 0.0 109.609 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 49' ' ' CYS . 2.0 pt20 -126.09 158.5 35.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.14 . . . . 0.0 110.309 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.8 tmm? -51.0 -44.59 60.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.21 -35.98 67.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -114.11 32.74 5.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.504 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 35.5 t -53.66 111.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 108.31 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.361 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.9 t30 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.08 -15.18 8.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.377 1.048 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.445 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -60.21 -9.11 2.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.449 ' ND2' HG12 ' A' ' 13' ' ' VAL . 25.4 p-10 -57.01 -25.59 58.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -60.9 -11.02 6.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.445 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -80.39 0.4 33.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.082 . . . . 0.0 110.266 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 12' ' ' THR . 11.9 ttpt -128.07 38.2 4.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.637 1.211 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.517 ' CG2' ' O ' ' A' ' 12' ' ' THR . 3.6 t 35.67 48.04 0.43 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.424 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.449 HG12 ' ND2' ' A' ' 8' ' ' ASN . 9.9 m -39.1 154.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.85 134.18 51.88 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 42.6 t -72.04 113.42 9.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 108.287 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -77.39 7.87 4.85 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.547 1.154 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -101.96 -58.63 1.84 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.568 1.167 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.406 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 27.4 p -93.53 -42.2 9.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 0.0 108.342 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 103.94 31.25 4.84 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.47 1.107 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.27 139.01 50.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 0.732 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -82.06 144.8 30.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.253 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.43 -22.7 6.95 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.483 1.115 . . . . 0.0 110.995 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.1 p-80 -152.51 157.46 41.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 109.587 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.6 pt -107.34 161.51 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.425 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -48.17 -36.95 14.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.37 -45.87 91.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -92.86 13.35 20.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.622 1.201 . . . . 0.0 109.319 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.428 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 48.9 t -84.91 138.33 32.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 108.377 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.6 ttt85 -79.95 -30.18 39.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.342 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.52 155.3 69.03 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.244 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 154.06 42.0 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.478 1.778 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.72 107.57 0.35 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.354 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.47 -175.84 3.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.57 54.55 0.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.235 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.481 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -98.14 126.9 9.05 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.444 ' C ' ' H ' ' A' ' 38' ' ' LYS . 13.2 t -58.23 118.53 5.59 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.45 38.47 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 108.018 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -132.67 -49.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 109.353 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.542 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.2 p -110.28 -32.87 6.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 108.289 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.62 20.68 18.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.438 1.087 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.587 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -93.69 127.91 39.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.481 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 18.0 pt-20 -87.31 123.07 31.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.19 -45.96 1.06 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.509 1.13 . . . . 0.0 110.965 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.587 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 9.7 p-80 -104.75 171.9 7.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.592 0.819 . . . . 0.0 109.638 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.478 ' OE1' ' CB ' ' A' ' 47' ' ' LYS . 2.9 pt20 -123.78 163.54 20.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.06 -49.72 60.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.478 ' CB ' ' OE1' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -53.36 -31.09 42.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.01 34.46 5.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.532 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.0 t -53.09 112.06 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 108.245 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.453 HG21 ' CE1' ' A' ' 44' ' ' HIS . 11.5 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.463 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.5 t30 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.546 ' CZ ' ' HG3' ' A' ' 9' ' ' GLN . 32.6 t80 -58.34 -14.02 6.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -56.06 -17.67 7.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.47 ' ND2' HG12 ' A' ' 13' ' ' VAL . 14.8 p-10 -55.75 -18.69 8.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.36 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.546 ' HG3' ' CZ ' ' A' ' 6' ' ' PHE . 0.5 OUTLIER -60.43 -12.53 9.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.366 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.8 -7.18 31.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 12' ' ' THR . 13.6 ttpp -126.52 39.55 3.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.537 ' CG2' ' O ' ' A' ' 12' ' ' THR . 3.7 t 35.18 48.89 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.47 HG12 ' ND2' ' A' ' 8' ' ' ASN . 11.6 m -37.3 154.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.235 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.25 133.37 50.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.383 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.4 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 42.2 t -67.71 112.21 4.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.451 1.094 . . . . 0.0 108.273 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -75.4 4.12 7.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.428 ' ND2' ' HB2' ' A' ' 30' ' ' ALA . 40.0 t30 -96.97 -65.64 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 109.359 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 37' ' ' TRP . 26.3 p -84.38 -40.65 17.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.565 1.166 . . . . 0.0 108.315 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.545 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 104.64 28.88 5.53 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -98.4 -171.21 2.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -135.16 128.0 31.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.085 . . . . 0.0 110.311 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 122.73 11.67 5.34 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -173.78 157.78 3.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.619 0.834 . . . . 0.0 109.578 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.457 ' CG2' HG23 ' A' ' 13' ' ' VAL . 12.2 pt -110.9 159.41 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.465 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -49.73 -36.1 24.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.422 ' HA ' ' NH2' ' A' ' 32' ' ' ARG . 5.4 mmmt -59.05 -44.73 91.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -92.98 5.83 50.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.62 1.2 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.465 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 42.5 t -80.09 135.48 36.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 108.285 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -30.5 61.84 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.428 ' HB2' ' ND2' ' A' ' 17' ' ' ASN . . . -64.82 150.22 94.99 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 157.72 42.57 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.481 1.78 . . . . 0.0 110.952 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.46 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 0.2 OUTLIER -56.16 102.07 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -122.12 -177.63 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.594 1.184 . . . . 0.0 109.305 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.51 49.76 1.6 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.566 1.166 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -92.34 120.33 6.08 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.536 1.148 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.422 ' C ' ' H ' ' A' ' 38' ' ' LYS . 11.9 t -60.15 116.81 4.47 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.545 ' CG ' ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -83.28 39.53 0.66 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.13 . . . . 0.0 107.979 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.422 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -131.96 -48.9 0.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.524 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 17.7 p -108.79 -33.03 7.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 108.262 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.15 25.21 11.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.557 1.16 . . . . 0.0 111.062 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.547 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -97.77 128.41 44.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 109.336 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.401 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 1.6 pt-20 -88.26 115.73 25.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 110.344 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 145.0 -50.4 0.64 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.539 1.149 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.547 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 20.1 p-80 -100.91 178.51 4.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 0.751 . . . . 0.0 109.656 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -131.03 163.86 26.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.343 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.6 ttp -52.23 -40.15 61.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -55.07 -33.48 62.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.394 1.059 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -123.9 39.85 3.87 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.487 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 35.0 t -57.81 112.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 108.255 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.417 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.6 t30 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -60.16 -14.05 15.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.414 ' HB2' ' NH2' ' A' ' 10' ' ' ARG . 21.6 ptt-85 -60.62 -13.44 14.43 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.518 1.136 . . . . 0.0 110.251 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.464 ' ND2' HG12 ' A' ' 13' ' ' VAL . 20.7 p-10 -56.15 -18.78 11.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.353 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -14.83 16.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.575 1.172 . . . . 0.0 110.278 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.454 ' HB3' ' CZ ' ' A' ' 10' ' ' ARG . 5.7 ptp180 -59.96 -14.83 17.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.351 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.467 ' O ' ' CG ' ' A' ' 11' ' ' LYS . 5.6 ttpp -117.3 35.77 4.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.367 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.533 ' CG2' ' O ' ' A' ' 12' ' ' THR . 3.8 t 36.64 48.49 0.64 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 110.408 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.464 HG12 ' ND2' ' A' ' 8' ' ' ASN . 10.7 m -38.63 155.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.363 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -105.83 143.87 33.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.427 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 45.2 t -79.93 111.63 16.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 108.312 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -72.21 -0.12 11.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -92.64 -68.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.478 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 26.5 p -82.44 -44.09 16.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 108.27 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.525 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 107.24 30.27 4.21 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.446 1.091 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -98.89 -172.15 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.367 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -134.43 127.11 30.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.396 1.06 . . . . 0.0 110.358 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.74 3.6 7.03 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.519 1.137 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 -166.03 160.22 16.31 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 0.79 . . . . 0.0 109.618 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 28' ' ' CYS . 6.0 pt -112.47 161.26 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.404 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -49.8 -40.19 40.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -58.82 -42.29 88.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -95.31 12.0 30.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 24' ' ' ILE . 44.1 t -84.6 134.22 34.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 108.362 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -30.98 56.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 110.345 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.01 158.74 24.09 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 148.99 35.97 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.441 1.759 . . . . 0.0 110.958 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 -58.62 110.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 110.371 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -142.83 -174.52 4.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.79 49.83 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.52 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -84.46 126.06 7.45 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.576 1.173 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.46 ' C ' ' H ' ' A' ' 38' ' ' LYS . 26.3 t -59.63 123.56 17.3 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.525 ' CG ' ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -82.8 35.22 0.46 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.48 1.112 . . . . 0.0 108.009 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.46 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.2 OUTLIER -133.51 -49.86 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.545 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.4 p -109.98 -31.85 7.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 108.325 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.8 21.72 22.86 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.556 1.16 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.488 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 5.4 tptt -94.29 123.87 37.96 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.435 0.727 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.52 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 22.7 pt-20 -83.35 114.91 21.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.62 -52.91 0.53 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.444 1.09 . . . . 0.0 111.026 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.545 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 25.5 p-80 -98.48 174.46 6.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.42 0.718 . . . . 0.0 109.602 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -121.97 159.86 26.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.381 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.6 tmm? -52.05 -40.22 60.78 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.48 1.112 . . . . 0.0 111.037 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.07 -33.74 63.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.574 1.171 . . . . 0.0 109.405 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -119.54 37.04 4.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.371 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 35.6 t -58.17 111.32 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.592 1.183 . . . . 0.0 108.281 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.393 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -58.05 -20.4 38.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.93 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.52 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 6.0 mmp_? -59.32 -11.73 4.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.605 ' ND2' ' CG1' ' A' ' 13' ' ' VAL . 50.1 t30 -58.03 -38.52 76.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -62.25 -11.85 17.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.412 1.07 . . . . 0.0 110.272 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.52 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 16.8 ptt85 -63.43 -10.8 18.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.496 ' O ' ' CG ' ' A' ' 11' ' ' LYS . 1.2 tttm -118.48 37.28 4.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.355 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.569 ' CG2' ' O ' ' A' ' 12' ' ' THR . 1.6 t 38.27 45.29 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.415 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.605 ' CG1' ' ND2' ' A' ' 8' ' ' ASN . 25.6 m -42.41 154.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.557 ' HD3' ' CH2' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -100.53 126.45 46.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.496 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 42.6 t -62.24 121.35 12.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 108.296 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.415 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 4.1 m-85 -82.5 14.59 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -113.79 -45.51 3.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 22.2 p -112.39 -37.74 4.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 108.312 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.496 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 110.15 -18.67 28.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.127 . . . . 0.0 111.009 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.55 136.71 56.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 0.729 . . . . 0.0 109.234 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.94 143.56 27.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.298 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.15 -40.62 1.7 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -130.79 157.6 42.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 109.623 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.519 ' CG2' ' CG2' ' A' ' 13' ' ' VAL . 16.1 pt -104.69 157.63 5.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.164 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.474 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -47.52 -35.78 9.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -59.53 -47.41 85.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -93.26 10.25 32.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.474 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 43.7 t -80.89 137.3 36.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 108.345 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.77 -30.72 32.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.343 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.08 155.32 8.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 154.19 42.43 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.505 1.792 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.39 104.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.39 179.44 5.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.582 1.176 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.6 mtmt -148.93 54.11 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.446 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -101.38 125.95 8.74 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.423 ' C ' ' H ' ' A' ' 38' ' ' LYS . 18.9 t -59.49 118.79 6.45 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.557 ' CH2' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -84.21 37.7 0.63 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 0.0 107.997 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.423 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.3 OUTLIER -131.68 -48.84 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.525 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.6 p -109.25 -32.02 7.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 108.297 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.34 23.11 17.55 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.572 1.17 . . . . 0.0 110.958 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.521 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -96.73 129.88 44.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 0.742 . . . . 0.0 109.276 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.446 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -89.42 121.31 31.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 110.273 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.33 -48.35 0.84 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.585 1.178 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.525 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 17.8 p-80 -102.36 179.58 4.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 0.79 . . . . 0.0 109.555 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -130.08 161.37 31.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.4 ttp -50.7 -43.94 57.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 111.065 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -36.81 68.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -114.05 33.48 5.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.505 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 35.7 t -55.05 111.46 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 108.307 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.382 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.469 ' HA ' ' CZ ' ' A' ' 7' ' ' ARG . 12.1 t30 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.47 ' CE1' HD12 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -58.71 -14.22 7.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 111.072 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.469 ' CZ ' ' HA ' ' A' ' 5' ' ' ASN . 1.1 ptt85 -60.03 -10.16 3.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.463 ' ND2' HG12 ' A' ' 13' ' ' VAL . 22.4 p-10 -56.51 -31.64 64.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -55.62 -17.92 6.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.587 1.179 . . . . 0.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.92 -15.72 14.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.258 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.595 ' O ' HG21 ' A' ' 12' ' ' THR . 0.0 OUTLIER -112.81 23.3 13.6 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.595 HG21 ' O ' ' A' ' 11' ' ' LYS . 2.2 t 52.87 46.47 26.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.463 HG12 ' ND2' ' A' ' 8' ' ' ASN . 28.6 m -38.28 156.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -104.02 136.89 42.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.4 t -73.23 112.52 9.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 108.344 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -77.56 5.09 9.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 110.957 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -96.84 -56.49 2.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.347 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.442 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 27.9 p -95.65 -44.4 7.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 108.332 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.6 30.38 3.55 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.557 1.161 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -100.17 -171.74 2.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 0.812 . . . . 0.0 109.241 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -134.7 131.35 37.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.45 15.77 6.32 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.429 1.081 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -176.16 158.93 2.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 0.729 . . . . 0.0 109.545 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.47 HD12 ' CE1' ' A' ' 6' ' ' PHE . 7.6 pt -110.05 162.17 7.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.423 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -49.37 -39.66 32.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -59.82 -42.58 93.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.35 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.431 ' OD1' ' CZ ' ' A' ' 6' ' ' PHE . 88.2 m-20 -89.61 9.15 27.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.423 ' HB2' ' HA ' ' A' ' 25' ' ' ALA . 35.1 t -83.95 134.67 34.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 108.305 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -75.82 -26.35 57.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.84 158.92 81.78 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 149.83 37.52 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 111.029 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.54 106.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.265 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.76 -175.91 3.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.28 50.12 1.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.486 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -90.44 119.91 5.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.429 ' C ' ' H ' ' A' ' 38' ' ' LYS . 12.6 t -56.5 120.64 8.06 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.442 ' CD1' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -83.69 38.89 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 108.017 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.429 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -133.52 -49.4 0.84 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.545 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.6 p -110.22 -31.79 7.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 108.296 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.75 21.27 21.86 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.511 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -93.76 126.85 39.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.754 . . . . 0.0 109.327 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.486 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -86.91 112.81 22.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.168 . . . . 0.0 110.235 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 150.29 -53.74 0.5 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.545 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 27.0 p-80 -97.08 174.55 6.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.434 0.726 . . . . 0.0 109.589 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -121.9 160.51 24.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 0.0 110.288 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -52.91 -37.47 60.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.54 -36.29 66.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.69 36.31 4.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.417 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 35.0 t -54.25 111.68 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 108.315 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 110.394 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.2 t30 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.466 ' CD1' ' C ' ' A' ' 6' ' ' PHE . 1.4 t80 -60.52 -15.49 27.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -13.32 12.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.43 1.081 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.467 ' ND2' HG12 ' A' ' 13' ' ' VAL . 13.4 p-10 -55.69 -19.2 9.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.347 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -59.54 -13.91 11.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -63.39 -11.75 25.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.414 1.071 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' THR . 11.7 ttpp -122.92 39.24 4.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.528 ' CG2' ' O ' ' A' ' 12' ' ' THR . 3.4 t 36.78 48.92 0.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.467 HG12 ' ND2' ' A' ' 8' ' ' ASN . 10.2 m -37.66 154.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.537 1.148 . . . . 0.0 109.22 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.57 ' HE2' ' CZ3' ' A' ' 37' ' ' TRP . 0.8 OUTLIER -104.65 135.57 45.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.2 t -74.88 115.32 14.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 108.291 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.44 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 12.9 m-85 -79.91 10.49 4.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.597 1.186 . . . . 0.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -103.89 -50.33 3.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -103.94 -42.86 5.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 108.322 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.8 29.87 4.49 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.96 139.17 50.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 0.743 . . . . 0.0 109.262 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 14' ' ' LYS . 0.7 OUTLIER -84.6 140.82 31.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.69 2.91 8.66 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -175.97 158.66 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.766 . . . . 0.0 109.606 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 28' ' ' CYS . 8.4 pt -109.69 158.03 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.475 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -48.34 -37.33 16.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.403 ' HB2' ' CD1' ' A' ' 24' ' ' ILE . 3.8 mmmt -59.08 -45.94 89.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.386 1.054 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -93.95 9.36 37.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 109.309 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.475 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 48.7 t -81.39 130.5 35.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 108.29 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -68.27 -32.09 72.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.34 154.09 44.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.383 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 155.73 42.93 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.485 1.781 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.19 105.55 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.248 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.9 -177.13 4.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -150.71 55.01 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.468 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -99.68 127.93 9.41 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.436 1.085 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.415 ' C ' ' H ' ' A' ' 38' ' ' LYS . 35.3 t -62.51 118.77 8.01 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.57 ' CZ3' ' HE2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -85.32 35.48 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.415 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -129.69 -48.35 1.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.542 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.6 p -109.92 -31.86 7.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 108.263 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.02 22.38 20.44 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.545 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.9 OUTLIER -96.28 125.9 41.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.339 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.468 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.4 OUTLIER -86.35 121.56 29.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.251 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 139.48 -47.75 0.89 Allowed Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.545 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 14.6 p-80 -103.03 -177.84 3.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 0.8 . . . . 0.0 109.577 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 49' ' ' CYS . 2.5 pt20 -133.54 158.8 42.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.248 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.4 ttt -50.68 -42.8 57.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.13 -37.6 69.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.18 34.29 5.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.529 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 33.8 t -52.47 112.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 108.318 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.425 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 t30 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -60.25 -14.65 18.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 33.3 ptt-85 -60.91 -11.42 7.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.48 ' ND2' HG12 ' A' ' 13' ' ' VAL . 19.8 p-10 -56.3 -22.81 32.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -60.87 -11.47 7.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.432 ' CZ ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -71.54 -3.99 24.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.477 ' O ' ' CG ' ' A' ' 11' ' ' LYS . 4.0 tttt -126.66 40.97 3.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.547 ' CG2' ' O ' ' A' ' 12' ' ' THR . 2.6 t 35.5 47.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.561 1.163 . . . . 0.0 110.41 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.48 HG12 ' ND2' ' A' ' 8' ' ' ASN . 8.8 m -38.76 154.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 5.3 ptpp? -107.39 138.92 42.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.402 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 42.4 t -77.1 112.66 13.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 108.309 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.429 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 7.8 m-85 -76.74 7.57 4.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.424 ' ND2' ' HB2' ' A' ' 30' ' ' ALA . 45.9 t30 -100.82 -58.43 1.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.428 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 25.0 p -94.68 -42.75 8.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.41 1.069 . . . . 0.0 108.293 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 106.22 27.86 5.44 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.58 140.21 46.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 0.782 . . . . 0.0 109.34 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 14' ' ' LYS . 1.0 OUTLIER -84.81 141.79 30.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.86 -11.35 7.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.583 1.177 . . . . 0.0 111.047 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 -164.73 156.43 15.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 0.0 109.58 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.4 pt -106.17 160.42 5.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.437 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -48.07 -35.7 11.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.176 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -59.97 -46.91 87.91 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -94.01 14.24 20.39 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.437 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 43.4 t -85.59 135.66 33.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.569 1.168 . . . . 0.0 108.31 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.82 -31.62 57.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.578 1.174 . . . . 0.0 110.26 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.424 ' HB2' ' ND2' ' A' ' 17' ' ' ASN . . . -58.64 155.09 31.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.108 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 154.68 42.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.474 1.776 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.82 101.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.355 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -124.14 179.35 4.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.419 1.074 . . . . 0.0 109.362 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -145.34 51.77 1.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -95.9 124.76 8.15 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.552 1.157 . . . . 0.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.407 ' C ' ' H ' ' A' ' 38' ' ' LYS . 44.1 t -62.15 119.24 8.57 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.429 ' CZ2' ' HA ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -86.32 32.91 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 108.014 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.407 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -127.57 -47.29 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.237 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.553 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.5 p -109.24 -32.13 7.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 108.266 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.53 22.49 21.48 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.453 1.096 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.508 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -96.18 128.64 43.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.543 0.79 . . . . 0.0 109.343 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.442 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 1.7 pt-20 -88.83 117.21 27.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.589 1.181 . . . . 0.0 110.357 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.56 -50.32 0.66 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.463 1.102 . . . . 0.0 110.967 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.553 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 21.4 p-80 -100.66 -176.69 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 0.735 . . . . 0.0 109.647 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -135.34 158.49 44.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.242 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.4 tmm? -52.11 -41.18 62.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.68 -33.38 60.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.382 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -124.86 39.86 3.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.469 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 33.7 t -56.56 112.0 1.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 108.354 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.526 1.142 . . . . 0.0 110.44 179.995 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 t30 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.49 ' CZ ' ' OD1' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -57.99 -14.76 7.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.376 1.047 . . . . 0.0 110.961 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.513 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -58.98 -10.35 2.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.476 ' HB2' ' CG1' ' A' ' 13' ' ' VAL . 32.0 p-10 -57.01 -37.52 71.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.448 ' N ' ' OD1' ' A' ' 8' ' ' ASN . 11.2 mt-30 -59.25 -10.23 2.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.33 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.513 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -57.34 -16.31 8.56 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -180.0 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.494 ' O ' ' HB ' ' A' ' 12' ' ' THR . 4.9 ttpp -110.27 -84.68 0.56 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.582 ' CG2' ' O ' ' A' ' 12' ' ' THR . 1.4 t 179.26 46.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.478 HG23 ' CG2' ' A' ' 24' ' ' ILE . 11.1 m -40.24 154.99 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.88 138.78 39.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.402 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 42.2 t -76.8 111.66 12.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 108.3 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -75.3 4.16 7.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 111.032 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -96.47 -63.28 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 26.2 p -87.41 -42.92 12.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 108.279 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.424 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 107.53 29.49 4.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.429 1.081 . . . . 0.0 111.01 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -98.01 -173.43 2.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 0.76 . . . . 0.0 109.294 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -133.35 116.7 16.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 145.0 -32.96 1.65 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 27.5 p-80 -134.17 161.63 34.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 0.0 109.606 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.478 ' CG2' HG23 ' A' ' 13' ' ' VAL . 8.9 pt -109.22 161.08 7.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.456 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -49.62 -38.08 30.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -59.21 -43.75 92.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.49 ' OD1' ' CZ ' ' A' ' 6' ' ' PHE . 83.0 m-20 -95.43 10.01 37.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.363 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.456 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 44.9 t -83.87 128.98 34.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 108.305 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -69.8 -27.86 65.24 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.41 153.97 85.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 153.68 41.93 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.481 1.78 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.41 106.86 0.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.241 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -126.33 -176.47 3.67 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.493 1.12 . . . . 0.0 109.344 179.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.5 mtmm -147.55 53.16 1.05 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.155 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.431 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -99.41 129.18 9.81 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.417 ' C ' ' H ' ' A' ' 38' ' ' LYS . 23.2 t -63.65 118.02 7.66 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.424 ' CG ' ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -84.58 37.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 108.006 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -130.42 -48.37 1.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.556 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.5 p -109.65 -31.84 7.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 108.327 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.46 22.66 18.46 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.565 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -96.1 130.33 43.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 0.734 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.431 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 13.8 pt-20 -89.77 123.19 33.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.19 -45.79 1.07 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 12.0 p-80 -104.94 174.76 5.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.585 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 49' ' ' CYS . 2.1 pt20 -127.39 162.6 25.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.8 tmm? -50.57 -43.69 56.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -55.42 -36.78 66.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.63 30.85 7.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.521 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 33.5 t -50.23 112.17 0.64 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.43 1.081 . . . . 0.0 108.331 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 0.0 110.423 -179.992 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.8 t30 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.6 ' CE2' ' OD1' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -58.64 -14.27 7.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 111.048 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -11.65 4.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.481 ' ND2' HG12 ' A' ' 13' ' ' VAL . 20.6 p-10 -54.44 -19.38 5.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.377 1.048 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -63.34 -8.24 8.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -77.08 -4.26 43.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 12' ' ' THR . 19.8 ttpp -125.43 39.98 3.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.516 ' O ' ' CG2' ' A' ' 12' ' ' THR . 4.2 t 35.48 47.68 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.481 HG12 ' ND2' ' A' ' 8' ' ' ASN . 9.1 m -38.74 154.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.04 138.85 42.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.415 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 45.2 t -78.14 114.13 16.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 108.293 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.434 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 9.2 m-85 -79.12 9.57 4.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -103.66 -55.69 2.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.34 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 27.4 p -96.7 -41.88 8.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.421 1.076 . . . . 0.0 108.229 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.515 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 103.55 31.24 4.97 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 -179.931 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.94 140.14 48.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.736 . . . . 0.0 109.268 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -84.17 141.01 31.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.91 -25.96 4.87 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.439 1.087 . . . . 0.0 111.04 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.1 p-80 -149.71 157.67 43.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 0.736 . . . . 0.0 109.585 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.7 pt -105.48 161.75 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.461 ' O ' ' NH2' ' A' ' 32' ' ' ARG . . . -48.31 -35.74 12.92 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -60.68 -46.38 90.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.6 ' OD1' ' CE2' ' A' ' 6' ' ' PHE . 80.7 m-20 -90.73 13.26 16.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.368 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.428 ' HB2' ' HA ' ' A' ' 25' ' ' ALA . 35.0 t -87.14 135.21 33.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 108.354 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -80.71 -24.73 38.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.137 . . . . 0.0 110.289 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.9 156.36 73.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 155.06 43.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.518 1.799 . . . . 0.0 111.041 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.461 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 5.0 mmp_? -57.85 104.92 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -130.7 -176.24 3.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -145.23 52.41 1.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.599 1.187 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.466 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -91.18 123.13 7.0 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.417 ' C ' ' H ' ' A' ' 38' ' ' LYS . 9.4 t -60.16 119.49 7.95 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.515 ' CG ' ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -83.62 40.43 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 107.97 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -133.91 -49.05 0.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 0.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.533 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 12.7 p -109.97 -32.41 7.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 108.259 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.3 22.53 16.73 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.503 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 2.9 ttpt -95.37 129.05 42.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.367 0.686 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.466 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.8 OUTLIER -88.04 116.55 26.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 0.0 110.329 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 145.43 -51.17 0.61 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.533 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 23.2 p-80 -100.0 176.73 5.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 0.738 . . . . 0.0 109.631 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -129.03 164.09 23.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 110.258 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.4 tpt -52.57 -40.68 62.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -52.99 -30.87 37.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -129.07 42.47 3.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.436 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 41.5 t -58.34 111.49 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 108.282 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.084 . . . . 0.0 110.443 179.977 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.0 t30 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.43 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 22.8 t80 -60.61 -16.58 39.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.039 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.473 ' HE ' ' NH1' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -61.05 -11.32 8.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.471 ' ND2' HG12 ' A' ' 13' ' ' VAL . 24.1 p-10 -56.96 -21.29 29.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -62.93 -10.12 12.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.348 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.473 ' NH1' ' HE ' ' A' ' 7' ' ' ARG . 12.9 ptt-85 -75.49 -2.35 28.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.259 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 12' ' ' THR . 11.4 tttp -128.73 38.78 3.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.486 ' CG2' ' O ' ' A' ' 12' ' ' THR . 5.5 t 35.77 48.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.471 HG12 ' ND2' ' A' ' 8' ' ' ASN . 8.7 m -37.57 154.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.91 143.47 36.48 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.419 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 44.3 t -80.87 115.91 20.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 108.215 -179.918 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -81.75 13.07 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.433 ' ND2' ' HB2' ' A' ' 30' ' ' ALA . 46.0 t30 -107.91 -49.0 3.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 179.922 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.419 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 26.0 p -104.41 -40.8 5.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 108.288 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.536 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 102.9 29.61 5.77 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.543 1.152 . . . . 0.0 110.952 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HB2' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -108.71 139.89 42.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 0.0 109.235 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.65 132.81 34.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 136.94 -43.43 1.23 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.116 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.5 p-80 -130.02 159.74 35.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 0.751 . . . . 0.0 109.598 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.411 ' CD1' ' HB2' ' A' ' 26' ' ' LYS . 12.5 pt -107.37 157.97 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.229 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.483 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -48.73 -35.6 14.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.411 ' HB2' ' CD1' ' A' ' 24' ' ' ILE . 12.6 mmmt -59.3 -46.33 88.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -96.81 14.59 24.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.483 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 53.9 t -83.56 137.47 33.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 108.295 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.56 -35.08 60.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.433 ' HB2' ' ND2' ' A' ' 17' ' ' ASN . . . -55.18 156.0 8.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 149.67 36.9 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.525 1.802 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.72 105.22 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -143.96 -174.99 4.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.353 179.921 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -135.0 47.02 2.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.533 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -72.21 123.84 9.66 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.412 1.07 . . . . 0.0 110.967 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.469 ' C ' ' H ' ' A' ' 38' ' ' LYS . 15.9 t -61.64 124.04 19.57 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.536 ' CG ' ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -81.66 36.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 108.019 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -134.73 -50.32 0.78 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.559 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 9.7 p -111.55 -31.83 6.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 108.279 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.67 18.73 24.62 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.548 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -91.38 120.31 32.13 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 179.937 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.533 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -81.27 111.25 17.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 152.51 -54.69 0.45 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.559 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 19.6 p-80 -94.9 -178.59 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 0.734 . . . . 0.0 109.608 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 49' ' ' CYS . 51.9 mt-30 -125.77 154.08 43.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 110.255 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.4 tmm? -49.92 -41.14 45.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -39.69 80.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.1 29.89 7.24 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.502 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.4 t -43.87 113.16 0.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 108.285 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.2 t . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.383 -179.997 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 t30 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -59.95 -16.52 30.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 0.0 110.988 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.415 ' O ' ' HB3' ' A' ' 10' ' ' ARG . 1.5 ptm180 -60.58 -12.06 8.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.465 ' HB2' ' CG1' ' A' ' 13' ' ' VAL . 15.7 p-10 -56.88 -33.96 67.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.455 ' OE1' ' CE2' ' A' ' 6' ' ' PHE . 35.0 mt-30 -59.12 -11.38 3.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.248 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -54.86 -18.34 4.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.931 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.466 ' O ' ' HB ' ' A' ' 12' ' ' THR . 15.3 ttpp -107.2 -84.52 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.595 ' CG2' ' O ' ' A' ' 12' ' ' THR . 1.3 t -179.93 45.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.465 ' CG1' ' HB2' ' A' ' 8' ' ' ASN . 13.4 m -42.23 154.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.79 144.33 33.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 42.6 t -84.17 111.32 19.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 108.297 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.441 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 11.0 m-85 -77.48 6.76 6.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -98.98 -54.29 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.24 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.44 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 26.3 p -99.05 -45.06 6.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 108.313 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.97 29.9 3.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -111.3 141.62 44.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -86.69 139.12 31.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.16 -29.97 3.59 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.456 1.098 . . . . 0.0 111.002 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.406 ' O ' ' HB2' ' A' ' 15' ' ' CYS . 22.6 p-80 -145.21 158.53 43.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 0.78 . . . . 0.0 109.629 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 26' ' ' LYS . 12.5 pt -107.05 161.87 5.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.42 1.075 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.437 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -48.5 -35.67 13.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.464 ' HB2' ' CD1' ' A' ' 24' ' ' ILE . 0.5 OUTLIER -59.72 -46.3 89.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -95.44 16.0 18.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.437 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 42.2 t -87.43 137.51 32.28 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.447 1.092 . . . . 0.0 108.324 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.59 -32.75 58.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.45 156.82 20.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 151.04 39.03 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.43 ' NH2' ' HB2' ' A' ' 25' ' ' ALA . 9.6 mmp_? -57.0 103.22 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.342 179.924 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -134.81 -175.41 3.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.607 1.192 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.42 51.68 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.205 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.489 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -87.38 121.46 5.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.476 1.11 . . . . 0.0 111.05 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.42 ' C ' ' H ' ' A' ' 38' ' ' LYS . 18.1 t -58.67 120.45 8.95 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.441 ' CZ2' ' HA ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -84.61 38.04 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.42 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.9 OUTLIER -132.65 -49.59 0.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.531 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.6 p -109.72 -31.28 7.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 108.227 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.07 21.48 22.86 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.469 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -96.12 126.54 41.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 0.786 . . . . 0.0 109.323 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.489 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 12.9 pt-20 -85.98 123.65 31.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 139.16 -47.95 0.89 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.531 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 18.7 p-80 -103.15 177.59 4.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.566 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -126.67 161.3 28.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.9 ttp -50.8 -40.98 56.79 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.574 1.171 . . . . 0.0 110.998 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -56.83 -38.15 72.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.381 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.47 33.36 5.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.368 179.897 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.5 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.1 t -50.64 112.01 0.63 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.079 . . . . 0.0 108.311 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.8 p . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 110.374 -179.948 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.6 t30 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -60.85 -15.83 34.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.0 mtm105 -59.41 -14.73 13.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.466 ' ND2' HG12 ' A' ' 13' ' ' VAL . 15.2 p-10 -55.78 -18.87 9.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 109.323 179.926 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -61.03 -12.06 10.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.229 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -67.57 -8.23 32.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 12' ' ' THR . 6.7 ttpt -126.1 39.27 3.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.413 1.07 . . . . 0.0 109.328 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 12' ' ' THR . 4.8 t 36.33 49.1 0.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.385 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.466 HG12 ' ND2' ' A' ' 8' ' ' ASN . 7.8 m -37.32 154.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.67 136.62 47.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 44.7 t -75.06 109.37 8.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 108.285 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.434 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 11.6 m-85 -73.56 4.17 5.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -95.33 -64.48 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.489 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 27.0 p -89.54 -42.99 11.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 108.305 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 107.57 28.63 4.75 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.127 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.72 138.35 47.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.73 138.23 32.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.1 -1.99 8.38 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 22.9 p-80 -170.36 157.72 6.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 0.779 . . . . 0.0 109.601 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 28' ' ' CYS . 13.8 pt -109.74 160.76 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.412 1.07 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.479 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -49.27 -36.85 21.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -59.33 -44.77 92.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -97.25 13.27 30.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.214 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.479 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 52.6 t -84.0 131.92 34.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 108.261 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -33.52 73.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.46 157.0 38.53 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 149.92 36.93 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.802 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.9 mmm-85 -56.36 109.81 0.67 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 110.352 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -140.97 -176.04 4.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 109.34 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -142.17 50.71 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.478 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -87.06 119.95 5.36 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.436 ' C ' ' H ' ' A' ' 38' ' ' LYS . 34.6 t -58.02 120.73 9.07 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.489 ' CD1' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -84.43 35.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.97 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.436 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -131.15 -49.05 1.01 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.24 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.559 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.4 p -110.24 -31.84 7.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 108.265 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.25 21.26 25.42 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.448 1.093 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.57 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -92.31 120.44 32.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 109.331 179.942 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.478 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -81.05 113.76 19.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 110.343 179.996 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.21 -52.33 0.54 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 17.0 p-80 -98.27 179.58 4.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 109.613 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -128.24 161.31 29.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.9 tpt -52.36 -45.63 65.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -31.28 59.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -121.75 37.26 4.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.504 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 33.6 t -50.34 112.27 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 108.219 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 40.0 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.415 179.939 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.362 -7.563 2 C5'-C4'-O4' 122.116 9.225 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.398 -4.578 2 C5'-C4'-O4' 132.221 16.444 . 0.089 1L . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 203' ' ' ' A' . . . . . 0.595 " H2'" ' C6 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.29 -13.592 1 C1'-O4'-C4' 119.641 11.156 . 0.168 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 204' ' ' ' C' . . . . . 0.595 ' C6 ' " H2'" ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.098 -29.557 2 C5'-C4'-O4' 137.722 20.373 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' B' B ' 205' ' ' ' U' . . . . . 0.568 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.272 -15.113 2 C5'-C4'-O4' 136.12 19.228 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' B' B ' 206' ' ' ' A' . . . . . 0.54 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.187 -22.192 2 C5'-C4'-O4' 134.179 17.842 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' B' B ' 207' ' ' ' G' . . . . . 0.584 " H2'" ' C6 ' ' B' ' 208' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.396 -4.74 3 C5'-C4'-O4' 132.525 16.66 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' B' B ' 208' ' ' ' C' . . . . . 0.584 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.119 -27.871 2 C5'-C4'-O4' 136.743 19.674 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.64 ' N2 ' ' C5 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.254 -16.624 1 C5'-C4'-O4' 144.575 25.268 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' B' B ' 210' ' ' ' G' . . . . . 0.816 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.334 -9.939 2 C5'-C4'-O4' 149.913 29.081 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' B' B ' 211' ' ' ' A' . . . . . 0.56 ' C6 ' ' HB2' ' A' ' 25' ' ' ALA . . . . . . . . 1 O4'--C4' 1.405 -4.02 2 C5'-C4'-O4' 142.701 23.929 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . 0.6 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.11 -28.623 1 C1'-O4'-C4' 120.401 12.001 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.64 ' C5 ' ' N2 ' ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.316 -11.376 2 C5'-C4'-O4' 123.739 10.385 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' B' B ' 214' ' ' ' C' . . . . . 0.627 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.314 -11.544 2 C5'-C4'-O4' 126.155 12.111 . 0.577 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 215' ' ' ' U' . . . . . 0.607 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.191 -21.823 2 C1'-O4'-C4' 117.811 9.124 . 0.056 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 216' ' ' ' A' . . . . . 0.503 ' C6 ' ' C6 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.287 -13.817 2 C1'-O4'-C4' 116.486 7.651 . 0.043 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.562 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.305 -12.309 3 C5'-C4'-O4' 129.158 14.256 . 0.077 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 218' ' ' ' U' . . . . . 0.562 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.35 -8.607 3 C1'-O4'-C4' 118.282 9.646 . 0.119 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.56 ' C6 ' " H2'" ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.363 -7.522 2 C1'-O4'-C4' 118.451 9.835 . 0.707 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 220' ' ' ' C' . . . . . 0.492 ' N4 ' ' C4 ' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.399 -4.52 2 C1'-O4'-C4' 117.851 9.168 . 0.13 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.494 0.187 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.403 ' O ' ' CB ' ' A' ' 3' ' ' LYS . 1.5 tt0 77.18 106.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.403 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 0.3 OUTLIER 82.19 68.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.52 -25.05 57.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.493 1.12 . . . . 0.0 111.036 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -57.26 -20.29 26.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 0.789 . . . . 0.0 109.25 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -60.99 -15.46 31.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 111.074 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.6 ptt85 -61.72 -12.47 16.76 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.455 ' ND2' HG12 ' A' ' 13' ' ' VAL . 21.3 p-10 -57.19 -20.82 29.01 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.464 1.102 . . . . 0.0 109.346 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -60.94 -13.09 13.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.274 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.3 -5.05 29.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.172 . . . . 0.0 110.263 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 12' ' ' THR . 15.6 ttpp -126.24 38.06 4.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.258 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.537 ' CG2' ' O ' ' A' ' 12' ' ' THR . 3.3 t 35.99 48.17 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 110.423 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.455 HG12 ' ND2' ' A' ' 8' ' ' ASN . 8.9 m -37.99 154.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.24 138.37 40.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.412 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 42.4 t -76.64 112.68 13.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 108.285 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.552 ' CD1' " O4'" ' B' ' 210' ' ' ' G' . 5.6 m-85 -76.0 4.28 8.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -97.03 -63.98 1.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.442 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 25.5 p -86.62 -41.34 14.33 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.533 1.146 . . . . 0.0 108.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.538 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 104.72 29.01 5.46 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.037 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.33 -173.39 2.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 0.787 . . . . 0.0 109.352 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -133.23 121.41 22.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.43 -10.23 3.78 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.6 p-80 -158.71 156.89 30.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 0.771 . . . . 0.0 109.546 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.6 ' HB ' ' C6 ' ' B' ' 212' ' ' ' G' . 18.8 pt -106.9 161.96 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.56 ' HB2' ' C6 ' ' B' ' 211' ' ' ' A' . . . -49.83 -35.74 24.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.425 ' HA ' ' NH2' ' A' ' 32' ' ' ARG . 5.5 mmmt -59.93 -44.43 94.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.423 1.077 . . . . 0.0 109.279 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -96.81 12.82 30.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.462 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 46.2 t -85.01 135.3 34.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 108.254 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.66 -32.31 62.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.322 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.88 153.99 50.93 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 152.83 41.55 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 111.043 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.425 ' NH2' ' HA ' ' A' ' 26' ' ' LYS . 2.5 mpt_? -55.06 106.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -134.54 -176.69 4.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -144.36 51.76 1.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.463 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -90.7 118.68 5.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.577 1.173 . . . . 0.0 111.057 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.423 ' C ' ' H ' ' A' ' 38' ' ' LYS . 11.5 t -55.74 120.4 7.24 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.816 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -83.7 39.46 0.68 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 0.0 107.999 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.445 ' CG ' ' SD ' ' A' ' 46' ' ' MET . 1.5 tmtm? -133.83 -49.14 0.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.556 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 12.6 p -109.64 -32.07 7.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 108.286 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.19 22.63 19.29 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.438 1.086 . . . . 0.0 111.063 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.527 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 9.2 tttt -94.44 128.35 40.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 0.751 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.463 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.4 OUTLIER -87.74 113.12 23.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.08 . . . . 0.0 110.268 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 149.61 -53.26 0.51 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.556 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 23.3 p-80 -96.97 179.83 4.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.58 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.57 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 1.0 OUTLIER -129.46 164.57 23.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.553 ' HG3' ' CE3' ' A' ' 37' ' ' TRP . 0.1 OUTLIER -51.35 -46.03 62.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 111.022 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp -54.93 -33.32 62.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.82 34.01 5.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.465 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 36.6 t -57.58 110.89 0.96 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 0.0 108.296 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.1 t -80.3 4.4 17.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.434 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.79 -70.35 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -138.53 171.1 14.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.407 1.067 . . . . 0.0 110.239 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -54.46 170.85 0.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.426 1.079 . . . . 0.0 110.34 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -104.34 76.39 1.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.581 1.175 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.3 p30 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.163 2 C1'-O4'-C4' 117.588 8.876 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.39 -5.226 2 C1'-O4'-C4' 117.736 9.04 . 0.182 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' B' B ' 203' ' ' ' A' . . . . . 0.645 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.32 -11.067 2 C1'-O4'-C4' 119.212 10.68 . 0.541 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 204' ' ' ' C' . . . . . 0.645 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.403 -4.18 2 C1'-O4'-C4' 116.905 8.117 . 0.606 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 205' ' ' ' U' . . . . . 0.576 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.211 -20.191 1 C1'-O4'-C4' 119.698 11.22 . 0.256 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 206' ' ' ' A' . . . . . 0.569 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.264 -15.785 3 C5'-C4'-O4' 126.274 12.196 . 0.081 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 207' ' ' ' G' . . . . . 0.574 " H2'" ' C6 ' ' B' ' 208' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.28 -14.446 3 C5'-C4'-O4' 125.691 11.779 . 0.013 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 208' ' ' ' C' . . . . . 0.574 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.394 -4.956 3 C1'-O4'-C4' 117.287 8.541 . 0.07 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.652 ' N1 ' ' C6 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.401 -4.361 3 C5'-C4'-O4' 142.703 23.931 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 002 nuclear orig full ' B' B ' 210' ' ' ' G' . . . . . 0.84 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.371 -6.809 2 C5'-C4'-O4' 151.106 29.933 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' B' B ' 211' ' ' ' A' . . . . . 0.51 " O4'" ' CD2' ' A' ' 16' ' ' PHE . . . . . . . . 0 O4'--C4' 1.405 -3.976 2 C5'-C4'-O4' 139.471 21.622 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . 0.6 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.4 -4.404 3 C5'-C4'-O4' 93.932 -10.906 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.652 ' C6 ' ' N1 ' ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.289 -13.657 2 C1'-O4'-C4' 119.036 10.485 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 002 nuclear orig full ' B' B ' 214' ' ' ' C' . . . . . 0.63 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.403 -4.165 3 C5'-C4'-O4' 120.71 8.222 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' B' B ' 215' ' ' ' U' . . . . . 0.6 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.182 -22.587 2 C5'-C4'-O4' 143.336 24.383 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' B' B ' 216' ' ' ' A' . . . . . 0.408 " H2'" ' C8 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.294 -13.22 3 C5'-C4'-O4' 123.97 10.55 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.571 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.4 -4.41 3 O4'-C4'-C3' 92.905 -8.996 . 0.023 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 218' ' ' ' U' . . . . . 0.571 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.4 -4.42 2 O4'-C4'-C3' 93.349 -8.679 . 0.325 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.556 ' C6 ' " H2'" ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.38 -6.107 2 C1'-O4'-C4' 117.529 8.81 . 0.154 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.447 3 C1'-O4'-C4' 117.375 8.639 . 0.075 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.478 ' O ' ' C ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.51 0.195 . . . . 0.0 111.023 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.478 ' C ' ' O ' ' A' ' 1' ' ' MET . 13.5 pt20 32.33 55.88 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -178.61 68.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.403 ' O ' ' CZ ' ' A' ' 7' ' ' ARG . . . -58.81 -26.67 60.72 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.555 1.159 . . . . 0.0 110.962 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -61.44 -14.89 32.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 0.744 . . . . 0.0 109.244 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -59.85 -14.21 14.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.421 ' HB3' ' NH2' ' A' ' 10' ' ' ARG . 85.7 mtm-85 -61.25 -11.92 11.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.445 ' ND2' HG12 ' A' ' 13' ' ' VAL . 25.9 p-10 -56.66 -19.94 18.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -61.6 -12.84 17.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.452 ' NH1' ' OP2' ' B' ' 205' ' ' ' U' . 0.0 OUTLIER -65.69 -15.6 62.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 12' ' ' THR . 10.2 ttmm -117.05 35.14 4.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.52 ' CG2' ' O ' ' A' ' 12' ' ' THR . 4.5 t 36.69 49.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.405 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.445 HG12 ' ND2' ' A' ' 8' ' ' ASN . 9.1 m -37.17 154.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.37 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.11 140.85 37.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.352 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.407 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 42.0 t -75.74 115.79 15.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 108.371 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.51 ' CD2' " O4'" ' B' ' 211' ' ' ' A' . 7.2 m-85 -79.36 9.49 4.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.958 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.439 ' ND2' ' HB2' ' A' ' 30' ' ' ALA . 49.6 t30 -103.11 -58.94 1.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.469 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 25.3 p -92.72 -38.41 11.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 108.309 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.459 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 102.45 27.6 6.75 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.55 1.156 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -94.31 -173.94 3.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 0.779 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -134.16 119.94 19.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.79 -8.62 4.23 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.5 p-80 -156.76 157.73 35.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 109.549 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.6 ' HB ' ' C6 ' ' B' ' 212' ' ' ' G' . 14.3 pt -108.43 158.65 8.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.472 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -49.09 -35.62 16.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -59.56 -45.7 91.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -94.76 11.22 32.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.472 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 48.2 t -83.49 129.58 34.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 108.334 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -71.86 -30.33 65.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 110.379 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.439 ' HB2' ' ND2' ' A' ' 17' ' ' ASN . . . -57.61 159.25 9.76 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 144.31 29.9 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.622 1.854 . . . . 0.0 110.946 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.5 mmm-85 -57.03 108.32 0.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.17 . . . . 0.0 110.301 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -141.83 -175.12 4.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -138.76 48.94 1.89 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.536 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -82.74 116.81 4.28 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.475 1.11 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.436 ' C ' ' H ' ' A' ' 38' ' ' LYS . 26.1 t -54.95 122.61 11.25 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.84 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -84.21 36.23 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.436 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -132.78 -49.42 0.89 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.155 . . . . 0.0 109.331 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.544 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.0 p -110.29 -30.9 7.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 108.28 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.59 22.41 24.05 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -99.02 119.37 37.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.536 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 13.0 pt-20 -79.73 121.99 26.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.37 -51.12 0.64 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.491 1.12 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.544 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 25.8 p-80 -99.39 -177.44 3.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 0.766 . . . . 0.0 109.642 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.536 ' HB3' ' C8 ' ' B' ' 210' ' ' ' G' . 1.2 mt-30 -126.79 154.76 43.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.1 ttp -50.56 -39.95 50.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.57 -39.63 77.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -111.5 32.08 5.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.448 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.6 t -45.31 111.8 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 108.33 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.7 p -75.23 -1.17 22.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.343 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -93.14 -60.62 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 110.251 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 50.77 54.97 10.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.168 . . . . 0.0 110.363 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -179.61 61.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 179.76 176.65 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.249 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.7 p30 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.92 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.391 -5.142 2 C1'-O4'-C4' 117.975 9.306 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.405 3 C1'-O4'-C4' 117.885 9.206 . 0.249 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 203' ' ' ' A' . . . . . 0.625 " H2'" ' C6 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.269 -15.31 3 C1'-O4'-C4' 119.216 10.684 . 0.153 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' B' B ' 204' ' ' ' C' . . . . . 0.625 ' C6 ' " H2'" ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.354 -8.266 3 C1'-O4'-C4' 118.462 9.846 . 0.173 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' B' B ' 205' ' ' ' U' . . . . . 0.569 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.203 -20.825 1 C1'-O4'-C4' 119.216 10.684 . 0.155 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' B' B ' 206' ' ' ' A' . . . . . 0.636 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.218 -19.598 2 C5'-C4'-O4' 128.522 13.802 . 0.05 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' B' B ' 207' ' ' ' G' . . . . . 0.636 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.279 -14.462 3 C5'-C4'-O4' 127.7 13.214 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' B' B ' 208' ' ' ' C' . . . . . 0.608 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.365 -7.371 3 C1'-O4'-C4' 117.95 9.277 . 0.013 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.595 ' N2 ' ' C5 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.367 -7.138 2 C1'-O4'-C4' 117.393 8.658 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' B' B ' 210' ' ' ' G' . . . . . 0.83 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.081 -30.961 1 C1'-O4'-C4' 122.865 14.739 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 003 nuclear orig full ' B' B ' 211' ' ' ' A' . . . . . 0.566 " H5'" ' CE2' ' A' ' 16' ' ' PHE . . . . . . . . 1 O4'--C4' 1.39 -5.227 2 C5'-C4'-O4' 143.914 24.796 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 5 4 . 1 . 003 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . 0.621 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.082 -30.878 1 C1'-O4'-C4' 122.959 14.843 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 003 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.595 ' C5 ' ' N2 ' ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.23 -18.579 2 C5'-C4'-O4' 139.06 21.328 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' B' B ' 214' ' ' ' C' . . . . . 0.593 " H2'" ' C6 ' ' B' ' 215' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.384 -5.726 2 C5'-C4'-O4' 140.35 22.25 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 003 nuclear orig full ' B' B ' 215' ' ' ' U' . . . . . 0.593 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.124 -27.426 2 C5'-C4'-O4' 139.955 21.968 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' B' B ' 216' ' ' ' A' . . . . . 0.556 ' C8 ' " H2'" ' B' ' 215' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.297 -13.04 2 C1'-O4'-C4' 116.461 7.623 . 0.482 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.566 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.362 -7.565 3 C5'-C4'-O4' 127.304 12.931 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' B' B ' 218' ' ' ' U' . . . . . 0.566 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.306 -12.215 3 C1'-O4'-C4' 119.223 10.692 . 0.082 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.501 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.398 -4.606 3 C1'-O4'-C4' 117.307 8.564 . 0.276 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.396 -4.728 2 C1'-O4'-C4' 117.859 9.176 . 0.098 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 CA-C-O 120.551 0.215 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -86.26 153.2 22.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.251 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm 71.61 59.53 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.62 -16.95 47.17 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -56.62 -23.49 41.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 0.729 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.576 ' CE1' ' OD1' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -58.58 -13.85 6.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 111.048 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -60.09 -10.15 4.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.466 ' ND2' HG12 ' A' ' 13' ' ' VAL . 22.2 p-10 -56.02 -24.4 38.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.359 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -59.24 -13.75 8.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.9 ptm85 -67.53 -8.71 36.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.437 ' O ' ' CG ' ' A' ' 11' ' ' LYS . 11.1 tttp -123.65 38.73 4.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.548 ' CG2' ' O ' ' A' ' 12' ' ' THR . 2.6 t 36.34 48.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.584 1.178 . . . . 0.0 110.389 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.466 HG12 ' ND2' ' A' ' 8' ' ' ASN . 6.4 m -37.63 154.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -102.64 140.23 37.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.5 t -80.81 109.69 15.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 1.176 . . . . 0.0 108.297 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.566 ' CE2' " H5'" ' B' ' 211' ' ' ' A' . 7.7 m-85 -73.65 -0.58 15.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -91.08 -67.49 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.369 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -81.69 -44.27 17.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.404 1.065 . . . . 0.0 108.301 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.532 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 107.35 30.47 4.11 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.75 -172.55 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -132.4 129.57 39.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 110.326 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.0 -0.86 6.7 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.5 p-80 -168.54 156.36 8.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.418 0.717 . . . . 0.0 109.651 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.621 ' HB ' ' C6 ' ' B' ' 212' ' ' ' G' . 12.9 pt -107.17 165.03 4.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.601 1.188 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.443 ' HB2' ' N1 ' ' B' ' 211' ' ' ' A' . . . -49.36 -35.41 18.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.17 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.436 ' HB2' ' CD1' ' A' ' 24' ' ' ILE . 6.5 mmtt -60.29 -45.45 93.32 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.576 ' OD1' ' CE1' ' A' ' 6' ' ' PHE . 80.4 m-20 -92.77 11.95 25.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 40.8 t -86.96 132.73 33.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 108.378 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 -75.76 -26.07 57.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 110.288 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.03 152.9 90.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 157.28 42.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.529 1.805 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.43 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -54.74 106.22 0.2 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.32 177.08 7.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.52 51.89 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.49 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -94.85 128.57 9.56 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.447 ' C ' ' H ' ' A' ' 38' ' ' LYS . 18.6 t -59.98 120.36 9.52 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.83 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -82.98 36.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.447 ' H ' ' C ' ' A' ' 36' ' ' CYS . 2.4 tmtp? -132.55 -49.58 0.91 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.559 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 9.1 p -110.28 -32.78 6.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 108.352 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.49 18.92 24.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -91.78 126.82 37.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.783 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.49 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 15.8 pt-20 -86.14 121.71 29.13 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.76 -47.59 0.91 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 11.5 p-80 -102.77 168.46 9.22 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.513 0.772 . . . . 0.0 109.556 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.577 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 1.3 pt20 -116.64 160.43 20.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.264 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.6 ttm -51.72 -40.11 59.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -56.6 -37.98 71.4 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.549 1.156 . . . . 0.0 109.367 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -111.69 29.92 7.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.429 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 25.9 t -45.35 115.84 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 108.271 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.423 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 42.5 p -60.55 -12.26 9.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.575 1.172 . . . . 0.0 110.42 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 50' ' ' THR . 3.6 mt-10 174.91 -92.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.585 1.178 . . . . 0.0 110.335 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.414 ' HB3' ' O ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER 168.56 178.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.228 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 177.89 144.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.78 114.29 21.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.083 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.5 t30 . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 179.94 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 201' ' ' ' G' . . . . . 0.629 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.399 -4.485 3 C5'-C4'-O4' 142.218 23.584 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . 0.629 ' C6 ' ' C6 ' ' B' ' 201' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.397 -4.672 2 C1'-O4'-C4' 117.965 9.294 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' B' B ' 203' ' ' ' A' . . . . . 0.671 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.353 -8.342 3 C1'-O4'-C4' 118.144 9.494 . 0.051 1m . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 204' ' ' ' C' . . . . . 0.671 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.079 -31.141 2 C5'-C4'-O4' 135.305 18.647 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' B' B ' 205' ' ' ' U' . . . . . 0.433 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.37 -6.909 2 C5'-C4'-O4' 141.313 22.938 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear orig full ' B' B ' 206' ' ' ' A' . . . . . 0.558 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.184 -22.429 2 C5'-C4'-O4' 130.896 15.497 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' B' B ' 207' ' ' ' G' . . . . . 0.561 " H2'" ' C6 ' ' B' ' 208' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.359 -7.869 3 C5'-C4'-O4' 120.881 8.344 . 0.139 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 208' ' ' ' C' . . . . . 0.561 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.302 -12.583 3 C1'-O4'-C4' 117.703 9.004 . 0.096 7a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.539 ' N2 ' ' C6 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.353 -8.356 2 C5'-C4'-O4' 129.681 14.629 . 0.231 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 210' ' ' ' G' . . . . . 0.806 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.076 -31.449 1 C1'-O4'-C4' 123.395 15.328 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 7r' 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear orig full ' B' B ' 211' ' ' ' A' . . . . . 0.561 " H5'" ' CE2' ' A' ' 16' ' ' PHE . . . . . . . . 1 O4'--C4' 1.288 -13.783 2 C5'-C4'-O4' 132.217 16.441 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . 0.56 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.12 -27.774 1 C1'-O4'-C4' 121.563 13.292 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.595 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.208 -20.455 2 C5'-C4'-O4' 138.473 20.91 . 0.054 9a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 214' ' ' ' C' . . . . . 0.595 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.39 -5.215 2 C5'-C4'-O4' 137.387 20.134 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear orig full ' B' B ' 215' ' ' ' U' . . . . . 0.575 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.113 -28.371 1 C1'-O4'-C4' 122.341 14.156 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' B' B ' 216' ' ' ' A' . . . . . 0.5 ' C6 ' ' C6 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.326 -10.563 3 O4'-C4'-C3' 95.334 -7.261 . 0.241 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.563 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.399 -4.501 3 C5'-C4'-O4' 125.182 11.416 . 0.028 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 218' ' ' ' U' . . . . . 0.563 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.401 -4.355 2 O4'-C4'-C3' 93.94 -8.257 . 0.183 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.489 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.378 -6.25 3 C1'-O4'-C4' 118.19 9.544 . 0.177 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 220' ' ' ' C' . . . . . 0.473 ' N4 ' ' C4 ' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.4 -4.395 2 C1'-O4'-C4' 117.802 9.114 . 0.072 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.449 0.166 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -66.07 175.7 1.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.249 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 77.36 64.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.36 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.78 -26.82 60.86 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.448 1.093 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -59.52 -17.32 31.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 0.794 . . . . 0.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -59.94 -14.71 17.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.488 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -59.62 -14.51 13.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.437 ' HB2' ' CG1' ' A' ' 13' ' ' VAL . 30.4 p-10 -57.72 -36.73 72.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.424 ' N ' ' OD1' ' A' ' 8' ' ' ASN . 65.6 mt-30 -59.21 -11.67 4.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.488 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 8.8 ptt85 -55.61 -17.39 5.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 110.198 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.463 ' O ' ' HB ' ' A' ' 12' ' ' THR . 12.1 ttpp -108.82 -85.84 0.52 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.595 ' CG2' ' O ' ' A' ' 12' ' ' THR . 1.2 t -179.85 45.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.377 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.437 ' CG1' ' HB2' ' A' ' 8' ' ' ASN . 11.2 m -40.15 154.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.39 143.46 32.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.8 t -83.29 111.81 19.32 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.536 1.147 . . . . 0.0 108.333 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.561 ' CE2' " H5'" ' B' ' 211' ' ' ' A' . 16.6 m-85 -75.76 3.11 10.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -94.96 -61.96 1.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -88.99 -43.86 10.83 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.503 1.127 . . . . 0.0 108.338 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.531 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 107.9 30.36 4.0 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.98 -174.52 2.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -132.91 118.28 18.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.4 -26.93 2.27 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.3 p-80 -140.32 158.54 43.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.572 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.56 ' HB ' ' C6 ' ' B' ' 212' ' ' ' G' . 15.4 pt -107.86 161.11 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.477 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -49.63 -36.62 25.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -59.59 -43.89 93.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -97.38 12.21 33.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.477 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 46.7 t -84.01 135.44 34.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.42 -32.55 60.76 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.57 1.169 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.01 156.48 13.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 109.326 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.12 154.12 41.71 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.494 1.786 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.459 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 7.9 mmp_? -56.67 104.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -136.91 -175.94 4.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.0 tttm -147.93 54.64 1.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.257 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.543 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -90.71 133.25 11.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.453 ' C ' ' H ' ' A' ' 38' ' ' LYS . 39.8 t -61.93 123.95 19.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.806 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -83.77 32.5 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 108.07 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.453 ' H ' ' C ' ' A' ' 36' ' ' CYS . 1.3 tptt -131.61 -49.03 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.53 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 12.9 p -110.83 -33.29 6.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 108.272 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.39 22.13 17.72 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.486 1.117 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.524 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 1.2 tptt -94.75 123.41 38.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.543 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -82.57 121.19 26.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.36 -48.64 0.82 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.53 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 14.9 p-80 -102.54 169.32 8.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 109.619 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.578 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 1.4 pt20 -116.98 156.23 27.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.433 ' HG3' ' N7 ' ' B' ' 210' ' ' ' G' . 3.2 ppp? -50.99 -32.03 19.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.536 1.148 . . . . 0.0 111.047 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.493 ' CE ' ' OP1' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -57.75 -42.12 83.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -110.83 27.81 9.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 32.5 t -43.27 111.93 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 108.309 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.0 p -76.48 0.04 21.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 110.395 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -121.8 62.71 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -124.42 152.34 43.37 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 110.316 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -167.35 60.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.25 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -40.47 -61.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.276 -14.777 2 C5'-C4'-O4' 134.681 18.201 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.392 -5.121 3 C1'-O4'-C4' 117.921 9.246 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 203' ' ' ' A' . . . . . 0.616 " H2'" ' C6 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.258 -16.258 3 C1'-O4'-C4' 119.011 10.457 . 0.26 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 204' ' ' ' C' . . . . . 0.616 ' C6 ' " H2'" ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.269 -15.306 2 C1'-O4'-C4' 118.238 9.597 . 0.059 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 205' ' ' ' U' . . . . . 0.569 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.321 -10.984 2 C1'-O4'-C4' 117.262 8.514 . 0.186 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 206' ' ' ' A' . . . . . 0.565 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.277 -14.697 3 C5'-C4'-O4' 127.232 12.88 . 0.064 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 207' ' ' ' G' . . . . . 0.57 " H2'" ' C6 ' ' B' ' 208' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.201 -21.037 2 C5'-C4'-O4' 130.875 15.482 . 0.013 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 208' ' ' ' C' . . . . . 0.57 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.367 -7.16 3 C1'-O4'-C4' 117.193 8.436 . 0.024 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.645 ' N2 ' ' C6 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.262 -15.919 3 C1'-O4'-C4' 118.833 10.259 . 0.866 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 210' ' ' ' G' . . . . . 0.798 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.088 -30.379 2 C1'-O4'-C4' 122.49 14.322 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 005 nuclear orig full ' B' B ' 211' ' ' ' A' . . . . . 0.576 " H5'" ' CE2' ' A' ' 16' ' ' PHE . . . . . . . . 1 O4'--C4' 1.401 -4.371 3 C5'-C4'-O4' 146.527 26.662 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 5 4 . 1 . 005 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . 0.597 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.123 -27.487 2 C1'-O4'-C4' 120.315 11.906 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 005 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.645 ' C6 ' ' N2 ' ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.339 -9.534 2 C1'-O4'-C4' 115.279 6.309 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 005 nuclear orig full ' B' B ' 214' ' ' ' C' . . . . . 0.639 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.364 -7.39 2 C5'-C4'-O4' 123.56 10.257 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' B' B ' 215' ' ' ' U' . . . . . 0.597 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.172 -23.401 2 C5'-C4'-O4' 135.46 18.757 . 0.096 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 216' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.226 -18.881 2 C1'-O4'-C4' 117.027 8.252 . 0.02 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.565 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.4 -4.377 3 C5'-C4'-O4' 125.579 11.699 . 0.045 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 218' ' ' ' U' . . . . . 0.565 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.361 -7.628 3 C1'-O4'-C4' 118.228 9.587 . 0.043 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.559 ' C6 ' " H2'" ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.357 -7.996 3 C1'-O4'-C4' 118.648 10.054 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 220' ' ' ' C' . . . . . 0.481 ' N4 ' ' C4 ' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.399 -4.464 2 C1'-O4'-C4' 117.789 9.098 . 0.091 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.8 mtt . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.445 0.164 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.04 -54.49 4.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.342 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.34 64.5 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.396 1.06 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.81 -26.08 59.91 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.569 1.168 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -59.72 -17.73 37.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 0.732 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 6' ' ' PHE . 4.8 t80 -61.21 -16.84 49.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.418 ' NH1' ' HB2' ' A' ' 7' ' ' ARG . 8.2 mtm105 -60.69 -13.06 12.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.254 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.462 ' ND2' HG12 ' A' ' 13' ' ' VAL . 20.2 p-10 -56.41 -18.78 12.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.388 1.055 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -61.82 -11.9 14.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.459 ' CZ ' ' P ' ' B' ' 205' ' ' ' U' . 3.5 ptm85 -78.06 1.84 19.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.263 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 12' ' ' THR . 9.5 ttpp -130.11 38.33 3.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.529 ' CG2' ' O ' ' A' ' 12' ' ' THR . 3.1 t 35.6 47.79 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.573 1.171 . . . . 0.0 110.451 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.462 HG12 ' ND2' ' A' ' 8' ' ' ASN . 10.7 m -40.07 154.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.23 137.44 45.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.587 1.18 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 23' ' ' HIS . 44.3 t -77.83 112.61 14.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 108.277 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.576 ' CE2' " H5'" ' B' ' 211' ' ' ' A' . 25.4 m-85 -76.85 6.47 6.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -99.43 -57.78 2.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 37' ' ' TRP . 28.3 p -94.96 -43.39 8.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 108.244 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.5 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 105.95 31.61 4.1 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.428 1.08 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -117.2 141.48 48.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 109.338 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.79 146.4 27.38 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.28 -27.45 5.81 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 110.951 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.409 ' O ' ' HB2' ' A' ' 15' ' ' CYS . 21.1 p-80 -147.27 157.74 43.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 0.773 . . . . 0.0 109.59 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.597 ' HB ' ' C6 ' ' B' ' 212' ' ' ' G' . 15.8 pt -107.19 159.6 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.571 ' HB2' ' C2 ' ' B' ' 211' ' ' ' A' . . . -46.58 -37.12 7.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.448 ' HB2' HD13 ' A' ' 24' ' ' ILE . 4.8 mmmt -59.87 -47.84 84.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.249 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -91.41 12.07 21.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 25' ' ' ALA . 48.4 t -83.59 137.07 33.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 108.283 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -29.69 39.43 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.436 1.085 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.08 155.7 42.83 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.234 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 157.14 43.15 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.507 1.793 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.449 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 6.4 mmp_? -57.38 105.91 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -134.44 -176.92 4.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -149.62 54.66 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.493 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -94.4 129.95 10.1 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.582 1.176 . . . . 0.0 111.015 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.435 ' C ' ' H ' ' A' ' 38' ' ' LYS . 42.0 t -61.08 120.46 10.33 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.798 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -83.95 32.71 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -129.69 -48.49 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.252 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.547 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 9.3 p -110.06 -33.19 6.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.08 . . . . 0.0 108.266 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.7 19.69 24.07 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.531 1.144 . . . . 0.0 111.063 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.578 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 1.0 OUTLIER -92.89 126.12 37.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.76 . . . . 0.0 109.246 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.493 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 4.5 pt-20 -86.48 121.29 28.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.147 . . . . 0.0 110.366 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.96 -47.35 0.92 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.461 1.1 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 11.1 p-80 -102.9 176.34 5.18 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.423 0.719 . . . . 0.0 109.536 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.581 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 4.1 pt20 -127.2 156.2 42.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.438 1.086 . . . . 0.0 110.253 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.8 ttp -50.62 -42.69 56.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.6 ttpp -56.75 -37.59 71.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.103 . . . . 0.0 109.316 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.81 34.77 4.77 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.514 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 37.8 t -52.7 112.32 0.81 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.581 1.175 . . . . 0.0 108.286 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.0 t -85.34 4.19 36.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 0.0 110.417 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -84.26 -60.88 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.28 98.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.432 1.083 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -170.55 -54.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.594 1.184 . . . . 0.0 110.329 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 74.79 -61.53 0.48 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.4 t30 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 201' ' ' ' G' . . . . . 0.639 ' N7 ' ' C5 ' ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.385 -5.661 3 C1'-O4'-C4' 118.087 9.43 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . 0.639 ' C5 ' ' N7 ' ' B' ' 201' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.372 -6.727 2 C1'-O4'-C4' 118.218 9.576 . 0.016 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 203' ' ' ' A' . . . . . 0.63 " H2'" ' C6 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.318 -11.216 3 C1'-O4'-C4' 118.692 10.102 . 0.099 1m . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 204' ' ' ' C' . . . . . 0.63 ' C6 ' " H2'" ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.376 -6.392 2 C1'-O4'-C4' 117.47 8.744 . 0.25 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 205' ' ' ' U' . . . . . 0.571 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.369 -6.983 3 C5'-C4'-O4' 92.813 -11.705 . 0.18 7a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 206' ' ' ' A' . . . . . 0.456 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.18 -22.76 2 C5'-C4'-O4' 132.012 16.294 . 0.125 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 207' ' ' ' G' . . . . . 0.572 " H2'" ' C6 ' ' B' ' 208' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.291 -13.48 3 C5'-C4'-O4' 131.156 15.683 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 006 nuclear orig full ' B' B ' 208' ' ' ' C' . . . . . 0.572 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.215 -19.796 1 C1'-O4'-C4' 119.561 11.068 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.609 ' N2 ' ' C5 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.4 -4.383 3 C5'-C4'-O4' 138.911 21.222 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 006 nuclear orig full ' B' B ' 210' ' ' ' G' . . . . . 0.816 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.081 -30.976 2 C1'-O4'-C4' 123.041 14.935 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 006 nuclear orig full ' B' B ' 211' ' ' ' A' . . . . . 0.568 ' C2 ' ' HB2' ' A' ' 25' ' ' ALA . . . . . . . . 1 O4'--C4' 1.332 -10.056 2 C5'-C4'-O4' 136.54 19.528 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 5 4 . 1 . 006 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . 0.562 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.103 -29.185 1 C1'-O4'-C4' 120.992 12.657 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 006 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.657 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.327 -10.507 2 C1'-O4'-C4' 115.889 6.988 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 006 nuclear orig full ' B' B ' 214' ' ' ' C' . . . . . 0.657 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.317 -11.296 2 C1'-O4'-C4' 118.651 10.057 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' B' B ' 215' ' ' ' U' . . . . . 0.618 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.121 -27.675 1 C1'-O4'-C4' 120.592 12.213 . 0.257 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 216' ' ' ' A' . . . . . 0.57 " H2'" ' C8 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.272 -15.108 2 C1'-O4'-C4' 116.724 7.916 . 0.01 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.57 ' C8 ' " H2'" ' B' ' 216' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.401 -4.342 2 O4'-C4'-C3' 93.172 -8.806 . 0.22 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 218' ' ' ' U' . . . . . 0.567 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.401 -4.363 3 O4'-C4'-C3' 93.154 -8.819 . 0.415 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.56 ' C6 ' " H2'" ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.286 -13.93 2 C1'-O4'-C4' 119.772 11.302 . 0.055 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 220' ' ' ' C' . . . . . 0.449 ' N4 ' ' C4 ' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.382 -5.914 3 C1'-O4'-C4' 117.638 8.931 . 0.118 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.558 0.218 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.408 ' O ' ' CB ' ' A' ' 3' ' ' LYS . 47.5 mm-40 60.22 151.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.283 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.408 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 0.3 OUTLIER 81.46 67.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.231 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.99 -22.84 56.07 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.555 1.159 . . . . 0.0 111.086 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -59.23 -28.28 66.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 0.794 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -60.29 -15.58 26.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.503 ' CZ ' ' OP1' ' B' ' 204' ' ' ' C' . 1.4 mtt85 -60.22 -13.07 10.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.465 ' ND2' HG12 ' A' ' 13' ' ' VAL . 10.8 p-10 -56.16 -17.6 7.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.462 ' HG2' ' CG2' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -58.01 -15.32 8.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -61.0 -12.88 12.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 110.332 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' O ' HG21 ' A' ' 12' ' ' THR . 13.6 tttp -120.62 37.92 4.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.511 ' CG2' ' O ' ' A' ' 12' ' ' THR . 3.9 t 37.75 48.0 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.397 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.465 HG12 ' ND2' ' A' ' 8' ' ' ASN . 14.4 m -38.75 156.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.34 135.73 48.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.416 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 41.8 t -75.52 112.04 11.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 108.257 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.553 ' CE2' " H5'" ' B' ' 211' ' ' ' A' . 33.6 m-85 -76.92 6.66 5.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -98.1 -58.33 2.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.435 ' O ' ' HB3' ' A' ' 37' ' ' TRP . 28.2 p -95.9 -42.08 8.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.083 . . . . 0.0 108.292 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.504 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 106.28 29.76 4.69 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.94 139.3 48.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 0.783 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.33 139.7 30.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.335 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.77 9.31 8.39 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.411 1.069 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -176.3 159.4 2.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 0.793 . . . . 0.0 109.581 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.562 ' HB ' ' C6 ' ' B' ' 212' ' ' ' G' . 5.8 pt -112.39 157.67 13.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.568 ' HB2' ' C2 ' ' B' ' 211' ' ' ' A' . . . -49.76 -37.88 31.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.467 ' HB2' ' CD1' ' A' ' 24' ' ' ILE . 15.2 mmmt -58.64 -44.0 89.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -91.94 2.52 56.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.376 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.457 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 49.4 t -77.08 131.55 38.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 108.317 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.38 -27.27 60.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 110.303 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.44 156.58 41.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 157.15 43.2 Favored 'Trans proline' 0 C--N 1.358 1.066 0 O-C-N 124.567 1.825 . . . . 0.0 111.015 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.461 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 7.2 mmp_? -59.06 104.58 0.25 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.99 -177.77 4.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.6 pttt -147.97 53.73 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.523 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -91.51 129.29 9.74 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.447 1.092 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.457 ' C ' ' H ' ' A' ' 38' ' ' LYS . 16.8 t -61.82 119.05 8.02 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.816 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -82.34 37.27 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 107.997 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.457 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -132.24 -49.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.349 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.528 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.9 p -110.61 -32.49 6.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 108.33 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.72 20.71 18.39 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.436 1.085 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.562 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 1.1 tmtp? -93.79 125.63 38.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 0.777 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.523 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 8.3 pt-20 -85.61 119.86 26.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.254 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.16 -48.77 0.8 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.562 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 13.9 p-80 -101.7 172.88 6.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.764 . . . . 0.0 109.588 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.587 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 2.0 pt20 -122.27 159.08 28.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 110.249 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.2 tmm? -50.19 -36.73 31.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.169 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -56.72 -41.68 77.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -112.4 29.96 7.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.505 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 37.8 t -42.42 112.36 0.34 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 108.334 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 51' ' ' GLU . 12.4 t -83.0 1.45 39.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.419 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 50' ' ' THR . 9.7 pt-20 38.47 65.6 0.6 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.61 143.62 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -144.12 63.16 1.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -139.62 171.26 14.5 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 109.265 -179.941 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.412 2 C1'-O4'-C4' 117.792 9.103 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.398 -4.564 3 C1'-O4'-C4' 117.759 9.065 . 0.39 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' B' B ' 203' ' ' ' A' . . . . . 0.63 " H2'" ' C6 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.373 -6.659 2 C1'-O4'-C4' 117.726 9.028 . 0.249 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 204' ' ' ' C' . . . . . 0.63 ' C6 ' " H2'" ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.337 -9.625 2 C1'-O4'-C4' 118.581 9.979 . 0.782 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 205' ' ' ' U' . . . . . 0.571 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.246 -17.246 3 C1'-O4'-C4' 119.436 10.929 . 0.17 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 206' ' ' ' A' . . . . . 0.47 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.239 -17.815 2 C5'-C4'-O4' 130.437 15.169 . 0.108 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 207' ' ' ' G' . . . . . 0.575 " H2'" ' C6 ' ' B' ' 208' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.395 -4.856 3 C5'-C4'-O4' 136.102 19.216 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 007 nuclear orig full ' B' B ' 208' ' ' ' C' . . . . . 0.575 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.092 -30.095 2 C5'-C4'-O4' 135.018 18.442 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.466 H5'' " C3'" ' B' ' 208' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.359 -7.862 1 C1'-O4'-C4' 116.414 7.571 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' B' B ' 210' ' ' ' G' . . . . . 0.808 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.362 -7.587 2 C5'-C4'-O4' 150.298 29.356 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 007 nuclear orig full ' B' B ' 211' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.062 1 C5'-C4'-O4' 138.586 20.99 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . 0.593 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.337 -9.656 2 C1'-O4'-C4' 117.362 8.624 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.652 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.265 -15.695 2 C1'-O4'-C4' 118.115 9.461 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 007 nuclear orig full ' B' B ' 214' ' ' ' C' . . . . . 0.652 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.401 -4.316 3 C1'-O4'-C4' 117.724 9.026 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' B' B ' 215' ' ' ' U' . . . . . 0.601 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.159 -24.5 2 C1'-O4'-C4' 121.983 13.758 . 0.059 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 216' ' ' ' A' . . . . . 0.449 ' N1 ' ' O4 ' ' B' ' 205' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.278 -14.594 3 C1'-O4'-C4' 116.356 7.506 . 0.13 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.566 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.401 -4.369 3 C5'-C4'-O4' 128.488 13.777 OUTLIER-DELTA 0.01 1L . 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' B' B ' 218' ' ' ' U' . . . . . 0.566 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.285 -13.966 3 C1'-O4'-C4' 118.893 10.326 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.519 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.4 -4.405 3 O4'-C4'-C3' 93.363 -8.669 . 0.194 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.399 -4.462 3 C5'-C4'-O4' 92.418 -11.987 . 0.016 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 2' ' ' GLN . 4.5 mtm . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.508 0.194 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 1' ' ' MET . 34.6 mt-30 -38.99 151.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.506 1.128 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 77.55 64.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.93 -22.94 55.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.541 1.151 . . . . 0.0 111.019 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -59.07 -21.24 58.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 0.747 . . . . 0.0 109.253 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -60.49 -15.83 30.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.485 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 7.8 ptm180 -59.68 -13.44 9.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.465 ' HB2' ' CG1' ' A' ' 13' ' ' VAL . 25.0 p-10 -57.46 -36.47 71.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.474 ' HG2' ' CG2' ' A' ' 13' ' ' VAL . 62.0 mt-30 -59.02 -11.13 3.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 110.346 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 9.2 ptt85 -56.45 -16.8 6.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.337 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.477 ' O ' ' HB ' ' A' ' 12' ' ' THR . 13.1 ttpp -109.08 -84.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.601 ' CG2' ' O ' ' A' ' 12' ' ' THR . 1.3 t 179.31 45.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.371 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.474 ' CG2' ' HG2' ' A' ' 9' ' ' GLN . 13.8 m -41.13 154.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.23 136.32 44.05 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.475 1.109 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.8 t -73.32 113.9 10.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 108.284 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.532 ' CD1' " O4'" ' B' ' 210' ' ' ' G' . 11.0 m-85 -77.9 6.09 8.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -98.26 -58.83 1.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -92.57 -42.14 9.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.588 1.18 . . . . 0.0 108.289 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.77 29.46 4.66 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -99.72 -171.71 2.11 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 0.747 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -134.8 126.52 29.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.268 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.56 -1.28 6.45 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.477 1.11 . . . . 0.0 110.973 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -164.51 157.62 17.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 0.767 . . . . 0.0 109.626 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.593 ' HB ' ' C6 ' ' B' ' 212' ' ' ' G' . 12.6 pt -109.0 160.85 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.2 -37.55 16.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -60.45 -45.51 93.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -93.41 13.92 20.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.1 t -85.64 133.41 34.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 108.253 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -31.22 63.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.261 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.35 158.62 36.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 149.84 37.31 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.422 1.748 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.3 mmm-85 -58.6 108.68 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.34 -175.51 3.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -145.87 52.41 1.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.459 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -95.97 125.59 8.47 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.588 1.18 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.415 ' C ' ' H ' ' A' ' 38' ' ' LYS . 29.4 t -61.67 118.84 7.62 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.808 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -85.12 36.51 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.415 ' H ' ' C ' ' A' ' 36' ' ' CYS . 4.3 tptt -130.63 -48.47 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.546 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 14.1 p -109.56 -31.53 7.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 108.301 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.38 22.87 20.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.117 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.535 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.4 OUTLIER -97.34 126.84 42.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 0.764 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.459 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 12.9 pt-20 -86.9 124.07 32.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 110.317 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.57 -46.07 1.04 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.546 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 13.8 p-80 -105.09 178.05 4.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 0.757 . . . . 0.0 109.631 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.575 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 3.2 pt20 -129.81 158.89 38.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.244 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -51.64 -43.56 62.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -55.6 -34.46 64.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -120.05 37.29 4.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.517 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 35.3 t -56.94 111.6 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 108.264 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.8 t -79.21 3.09 18.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 110.396 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -95.6 -59.06 1.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 110.264 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.07 96.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.366 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -140.12 -59.08 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.335 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 64.25 167.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.256 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 201' ' ' ' G' . . . . . 0.567 " H2'" ' C8 ' ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.4 -4.426 3 C5'-C4'-O4' 139.885 21.918 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . 0.567 ' C8 ' " H2'" ' B' ' 201' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.397 -4.654 2 C1'-O4'-C4' 117.957 9.285 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' B' B ' 203' ' ' ' A' . . . . . 0.625 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.332 -10.086 2 C1'-O4'-C4' 118.918 10.354 . 0.501 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 204' ' ' ' C' . . . . . 0.625 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.325 -10.662 2 C1'-O4'-C4' 118.436 9.818 . 0.65 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 205' ' ' ' U' . . . . . 0.586 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.256 -16.4 3 C1'-O4'-C4' 117.403 8.67 . 0.013 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 206' ' ' ' A' . . . . . 0.528 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.246 -17.267 2 C5'-C4'-O4' 133.365 17.261 OUTLIER-DELTA 0.01 1a . 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' B' B ' 207' ' ' ' G' . . . . . 0.559 " H2'" ' C6 ' ' B' ' 208' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.255 -16.486 3 C5'-C4'-O4' 123.475 10.196 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 208' ' ' ' C' . . . . . 0.559 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.304 -12.454 3 C1'-O4'-C4' 118.61 10.012 . 0.101 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.642 ' N2 ' ' C6 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.378 -6.266 2 C5'-C4'-O4' 141.661 23.186 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 008 nuclear orig full ' B' B ' 210' ' ' ' G' . . . . . 0.83 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.205 -20.653 2 C5'-C4'-O4' 137.63 20.307 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 008 nuclear orig full ' B' B ' 211' ' ' ' A' . . . . . 0.55 ' C2 ' ' HB2' ' A' ' 25' ' ' ALA . . . . . . . . 0 O4'--C4' 1.408 -3.777 2 C5'-C4'-O4' 141.464 23.045 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . 0.571 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.386 -5.588 3 C5'-C4'-O4' 95.777 -9.588 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.642 ' C6 ' ' N2 ' ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.258 -16.211 2 C1'-O4'-C4' 119.726 11.252 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 008 nuclear orig full ' B' B ' 214' ' ' ' C' . . . . . 0.624 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.398 -4.618 2 C1'-O4'-C4' 117.853 9.169 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' B' B ' 215' ' ' ' U' . . . . . 0.6 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.142 -25.893 2 C1'-O4'-C4' 120.871 12.523 . 0.19 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 216' ' ' ' A' . . . . . 0.594 ' C6 ' ' C6 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.297 -13.014 2 O4'-C4'-C3' 96.705 -6.282 . 0.3 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.594 ' C6 ' ' C6 ' ' B' ' 216' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.4 -4.401 3 C5'-C4'-O4' 121.959 9.114 . 0.149 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 218' ' ' ' U' . . . . . 0.567 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.3 -12.742 3 C5'-C4'-O4' 126.224 12.16 . 0.128 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.425 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.399 -4.482 3 C1'-O4'-C4' 117.084 8.315 . 0.078 1m . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.428 2 C1'-O4'-C4' 117.81 9.122 . 0.072 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.49 0.186 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.44 177.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 74.07 61.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.92 -27.06 61.56 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.534 1.146 . . . . 0.0 110.962 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -61.78 -14.51 33.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 0.78 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.497 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 3.3 t80 -59.96 -15.4 21.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.403 ' O ' ' HB3' ' A' ' 10' ' ' ARG . 15.9 ptt180 -60.15 -13.54 12.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.427 ' ND2' HG12 ' A' ' 13' ' ' VAL . 26.6 p-10 -57.4 -34.8 69.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.44 ' OE1' ' ND2' ' A' ' 27' ' ' ASN . 29.9 mt-30 -58.78 -11.59 3.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.359 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.492 ' CZ ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -54.29 -18.7 4.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 110.29 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.472 ' O ' ' HB ' ' A' ' 12' ' ' THR . 3.6 ttpt -107.98 -85.44 0.52 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.387 1.054 . . . . 0.0 109.326 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.598 ' CG2' ' O ' ' A' ' 12' ' ' THR . 1.3 t 179.57 45.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.427 HG12 ' ND2' ' A' ' 8' ' ' ASN . 9.9 m -39.6 154.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -105.61 139.1 40.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.413 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 42.0 t -77.9 110.01 12.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 108.296 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.547 ' CD1' " O4'" ' B' ' 210' ' ' ' G' . 10.1 m-85 -72.38 -1.02 13.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -91.0 -67.33 0.86 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.595 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 27.8 p -82.6 -45.4 14.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 108.327 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 108.54 32.13 3.26 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.19 -173.13 2.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 0.776 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -132.47 125.06 29.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.074 . . . . 0.0 110.346 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.11 -23.01 3.53 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -145.5 157.92 43.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.528 0.781 . . . . 0.0 109.606 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.571 ' HB ' ' C6 ' ' B' ' 212' ' ' ' G' . 10.1 pt -107.63 163.23 5.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.55 ' HB2' ' C2 ' ' B' ' 211' ' ' ' A' . . . -46.62 -37.2 7.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.6 1.187 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.552 ' HG3' ' CD1' ' A' ' 24' ' ' ILE . 8.7 mtpt -59.58 -47.96 83.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.44 ' ND2' ' OE1' ' A' ' 9' ' ' GLN . 77.7 m-20 -92.59 17.78 9.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.347 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.1 t -89.57 130.98 35.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 108.305 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.15 -29.0 65.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.78 154.12 92.46 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 153.21 41.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.451 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -54.68 108.62 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.275 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.11 -176.46 4.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.102 . . . . 0.0 109.268 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.4 51.18 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.374 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.467 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -89.54 119.99 5.65 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.417 ' C ' ' H ' ' A' ' 38' ' ' LYS . 14.5 t -57.53 120.95 9.18 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.83 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -84.41 38.63 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 107.991 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.446 ' HB2' ' CG ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -133.45 -49.33 0.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.557 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.5 p -109.26 -31.64 7.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 108.235 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.64 21.89 22.78 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.412 1.07 . . . . 0.0 111.041 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.508 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -94.38 127.93 40.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 0.783 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.467 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 1.6 pt-20 -87.47 115.1 24.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.79 -52.25 0.55 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.127 . . . . 0.0 111.033 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.557 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 23.1 p-80 -98.2 -177.35 3.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.743 . . . . 0.0 109.582 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.595 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 2.0 pt20 -132.7 163.12 29.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.446 ' CG ' ' HB2' ' A' ' 38' ' ' LYS . 3.8 mtp -51.37 -45.75 62.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -54.98 -34.06 63.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -117.26 34.77 4.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.466 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 35.9 t -56.82 111.23 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 108.354 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 t -79.12 2.86 19.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.465 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -76.86 -60.14 2.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -176.59 -58.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.74 165.43 1.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.266 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.38 94.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.599 1.187 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 201' ' ' ' G' . . . . . 0.509 ' C8 ' ' C4 ' ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.402 -4.236 2 O4'-C4'-C3' 92.359 -9.386 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . 0.613 ' C6 ' ' C6 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.331 -10.208 2 C1'-O4'-C4' 117.604 8.893 . 0.257 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 203' ' ' ' A' . . . . . 0.622 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.253 -16.681 3 C1'-O4'-C4' 119.57 11.078 . 0.017 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 204' ' ' ' C' . . . . . 0.622 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.257 -16.331 2 C1'-O4'-C4' 118.836 10.262 . 0.03 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 205' ' ' ' U' . . . . . 0.57 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.246 -17.228 1 C1'-O4'-C4' 120.014 11.571 . 0.154 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 206' ' ' ' A' . . . . . 0.531 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.248 -17.078 2 C5'-C4'-O4' 130.175 14.982 . 0.101 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 207' ' ' ' G' . . . . . 0.531 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.348 -8.746 3 C5'-C4'-O4' 130.009 14.864 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' B' B ' 208' ' ' ' C' . . . . . 0.544 " H2'" ' C8 ' ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.101 -29.322 2 C5'-C4'-O4' 136.689 19.635 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.544 ' C8 ' " H2'" ' B' ' 208' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.384 -5.791 2 C5'-C4'-O4' 138.36 20.828 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' B' B ' 210' ' ' ' G' . . . . . 0.814 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.357 -8.017 2 C5'-C4'-O4' 150.088 29.206 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 009 nuclear orig full ' B' B ' 211' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.402 -4.243 2 C5'-C4'-O4' 141.752 23.251 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . 0.602 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.127 -27.191 2 C1'-O4'-C4' 120.298 11.886 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 009 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.631 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.2 -21.054 2 C5'-C4'-O4' 138.934 21.239 . 0.0 OUTLIER '7D dist 9a' 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' B' B ' 214' ' ' ' C' . . . . . 0.631 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.358 -7.89 2 C5'-C4'-O4' 136.965 19.832 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 009 nuclear orig full ' B' B ' 215' ' ' ' U' . . . . . 0.597 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.087 -30.476 2 C1'-O4'-C4' 122.919 14.799 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' B' B ' 216' ' ' ' A' . . . . . 0.525 " H2'" ' C8 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.304 -12.446 2 O4'-C4'-C3' 96.333 -6.548 . 0.648 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.585 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.394 -4.92 2 O4'-C4'-C3' 93.227 -8.766 . 0.338 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 218' ' ' ' U' . . . . . 0.61 ' C4 ' ' N4 ' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.151 -25.148 2 C1'-O4'-C4' 120.199 11.776 . 0.122 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.65 " H2'" ' C6 ' ' B' ' 220' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.356 -8.12 3 C5'-C4'-O4' 125.926 11.947 . 0.053 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 220' ' ' ' C' . . . . . 0.65 ' C6 ' " H2'" ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.189 -21.976 2 C5'-C4'-O4' 137.104 19.931 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.425 ' HG3' ' N ' ' A' ' 2' ' ' GLN . 5.8 ptp . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.544 0.212 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.425 ' N ' ' HG3' ' A' ' 1' ' ' MET . 0.5 OUTLIER -103.17 178.68 4.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.308 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 79.05 66.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.62 -27.71 61.67 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -58.9 -17.2 22.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.592 0.819 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -59.44 -15.11 15.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 111.039 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.503 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 20.1 mtm105 -59.8 -12.3 7.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 110.275 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.46 ' HB2' ' CG1' ' A' ' 13' ' ' VAL . 30.6 p-10 -57.39 -36.35 71.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.239 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.418 ' N ' ' OD1' ' A' ' 8' ' ' ASN . 6.1 mt-30 -59.29 -9.97 2.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.503 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 13.4 ptt180 -57.75 -15.9 9.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.349 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.512 ' O ' ' HB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -110.87 -85.1 0.56 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.429 1.081 . . . . 0.0 109.29 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.565 ' CG2' ' O ' ' A' ' 12' ' ' THR . 1.9 t 179.04 46.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.441 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.46 ' CG1' ' HB2' ' A' ' 8' ' ' ASN . 10.1 m -40.44 154.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.407 ' HE3' ' CZ3' ' A' ' 37' ' ' TRP . 3.1 tttt -105.97 139.56 40.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 42.2 t -78.63 114.73 17.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 108.322 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.471 ' CD2' ' C6 ' ' B' ' 212' ' ' ' G' . 7.7 m-85 -81.01 10.91 4.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.428 ' ND2' ' HB2' ' A' ' 30' ' ' ALA . 47.3 t30 -104.6 -52.05 2.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.364 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -100.82 -40.67 7.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 108.331 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.441 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 103.53 28.87 5.85 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.438 1.086 . . . . 0.0 111.038 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -114.51 140.64 48.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 0.794 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -84.33 143.89 29.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.78 0.82 11.96 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.584 1.178 . . . . 0.0 111.028 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 22.9 p-80 -175.63 157.65 2.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 109.566 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.602 ' HB ' ' C6 ' ' B' ' 212' ' ' ' G' . 10.2 pt -108.97 160.7 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.439 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -48.99 -37.23 19.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.358 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -59.73 -44.82 93.61 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.403 ' ND2' HG12 ' A' ' 24' ' ' ILE . 80.3 m-20 -94.15 10.54 33.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.439 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 42.3 t -83.17 135.47 34.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 108.328 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.74 -31.38 59.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.428 ' HB2' ' ND2' ' A' ' 17' ' ' ASN . . . -58.88 155.6 30.69 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.49 42.39 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.537 1.809 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.96 106.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -131.31 -176.3 3.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.41 53.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.45 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -95.16 123.9 7.78 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.513 1.133 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.423 ' C ' ' H ' ' A' ' 38' ' ' LYS . 30.0 t -60.56 119.17 7.56 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.814 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -84.68 36.32 0.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 108.04 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.423 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -130.79 -48.94 1.04 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.534 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 12.2 p -109.09 -31.64 7.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 108.292 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.46 22.14 22.56 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.464 1.102 . . . . 0.0 111.044 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.536 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -94.32 126.97 39.91 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 0.753 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.45 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.37 114.79 24.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 146.95 -51.65 0.57 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.565 1.166 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.536 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 20.7 p-80 -98.99 -177.97 3.8 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 0.773 . . . . 0.0 109.532 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.588 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 3.2 pt20 -133.9 159.45 40.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.593 1.183 . . . . 0.0 110.313 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.423 ' HB3' ' N7 ' ' B' ' 210' ' ' ' G' . 6.5 tpt -52.23 -40.72 62.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.07 -33.21 56.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -126.38 40.64 3.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.258 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.469 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 39.3 t -55.62 110.62 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.324 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 t -81.68 5.12 19.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.414 1.071 . . . . 0.0 110.368 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -149.87 78.09 1.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.402 1.064 . . . . 0.0 110.277 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.53 88.15 7.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.314 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -162.9 157.46 21.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 110.282 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.87 160.91 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.8 t30 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.36 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.44 3 C5'-C4'-O4' 137.22 20.015 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.377 -6.307 3 C5'-C4'-O4' 97.063 -8.669 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 203' ' ' ' A' . . . . . 0.64 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.273 -14.968 2 C1'-O4'-C4' 119.93 11.477 . 0.567 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 204' ' ' ' C' . . . . . 0.64 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.343 -9.193 2 C1'-O4'-C4' 118.632 10.036 . 0.548 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 205' ' ' ' U' . . . . . 0.574 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.238 -17.921 2 C1'-O4'-C4' 120.623 12.248 . 0.121 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 206' ' ' ' A' . . . . . 0.555 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.208 -20.425 2 C1'-O4'-C4' 118.683 10.092 . 0.45 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 207' ' ' ' G' . . . . . 0.591 " H2'" ' C6 ' ' B' ' 208' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.398 -4.601 3 C5'-C4'-O4' 132.002 16.287 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 010 nuclear orig full ' B' B ' 208' ' ' ' C' . . . . . 0.591 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.089 -30.347 2 C5'-C4'-O4' 134.103 17.788 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.639 ' N2 ' ' C5 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.107 -28.864 2 C1'-O4'-C4' 121.317 13.019 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' B' B ' 210' ' ' ' G' . . . . . 0.819 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.311 -11.867 2 C5'-C4'-O4' 148.996 28.426 OUTLIER-DELTA 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 5 4 . 1 . 010 nuclear orig full ' B' B ' 211' ' ' ' A' . . . . . 0.427 ' N1 ' ' HB2' ' A' ' 25' ' ' ALA . . . . . . . . 1 O4'--C4' 1.402 -4.263 3 C5'-C4'-O4' 144.83 25.45 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 010 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . 0.478 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.255 -16.482 2 C1'-O4'-C4' 120.138 11.709 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.639 ' C5 ' ' N2 ' ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.244 -17.423 2 C1'-O4'-C4' 119.824 11.36 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 010 nuclear orig full ' B' B ' 214' ' ' ' C' . . . . . 0.603 " H2'" ' C6 ' ' B' ' 215' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.402 -4.239 2 C5'-C4'-O4' 126.408 12.292 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' B' B ' 215' ' ' ' U' . . . . . 0.603 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.136 -26.406 2 C1'-O4'-C4' 122.326 14.141 . 0.331 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 216' ' ' ' A' . . . . . 0.419 " H2'" ' C8 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.35 -8.567 2 O4'-C4'-C3' 94.416 -7.917 . 0.224 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.565 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.4 -4.438 3 C5'-C4'-O4' 123.168 9.977 . 0.055 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 218' ' ' ' U' . . . . . 0.565 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.321 -11.014 3 C1'-O4'-C4' 117.82 9.134 . 0.039 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.56 ' C6 ' " H2'" ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.383 -5.803 3 C5'-C4'-O4' 92.94 -11.615 . 0.156 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.381 3 O4'-C4'-C3' 94.212 -8.063 . 0.033 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.484 0.183 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -39.01 131.66 1.38 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 110.367 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.1 pttm -177.66 68.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.242 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.89 -27.05 61.48 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -60.17 -15.64 25.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 0.727 . . . . 0.0 109.252 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.515 ' CZ ' ' OE1' ' A' ' 9' ' ' GLN . 2.2 t80 -59.56 -17.03 29.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.95 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.429 ' NH1' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -61.04 -12.14 10.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.485 ' ND2' HG12 ' A' ' 13' ' ' VAL . 20.1 p-10 -56.89 -22.57 38.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.515 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 0.7 OUTLIER -61.15 -11.24 8.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.427 ' CZ ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -71.14 -5.03 28.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.283 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 12' ' ' THR . 21.5 tttp -126.24 40.01 3.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.316 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.526 ' CG2' ' O ' ' A' ' 12' ' ' THR . 3.7 t 36.08 48.39 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 110.414 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.485 HG12 ' ND2' ' A' ' 8' ' ' ASN . 10.9 m -38.34 155.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.464 1.102 . . . . 0.0 109.228 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -109.12 134.59 51.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.418 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 42.0 t -70.69 111.05 5.87 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.563 1.164 . . . . 0.0 108.256 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.616 ' CD1' " O4'" ' B' ' 210' ' ' ' G' . 11.1 m-85 -74.99 5.66 4.95 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -97.79 -62.41 1.25 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.401 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 26.9 p -91.39 -42.5 10.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 108.327 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 106.54 28.33 5.16 Favored Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.502 1.127 . . . . 0.0 111.006 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -109.76 136.61 48.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.433 0.725 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.428 ' HA ' ' HA ' ' A' ' 14' ' ' LYS . 0.8 OUTLIER -83.24 139.04 33.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.386 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.69 9.36 8.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.459 1.099 . . . . 0.0 111.013 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.5 p-80 -176.44 159.48 1.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 0.791 . . . . 0.0 109.564 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.478 ' HB ' ' C6 ' ' B' ' 212' ' ' ' G' . 6.3 pt -113.33 158.3 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.441 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -49.27 -37.95 25.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.428 ' HB2' ' CD1' ' A' ' 24' ' ' ILE . 7.4 mmmt -59.12 -44.39 92.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -92.73 5.98 49.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 24' ' ' ILE . 41.8 t -79.79 136.57 36.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 108.296 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -77.09 -31.68 56.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.44 155.09 39.72 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 155.2 42.65 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.42 107.01 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.349 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.08 -176.18 3.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.51 54.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.458 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -97.98 126.48 8.9 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.434 ' C ' ' H ' ' A' ' 38' ' ' LYS . 12.2 t -61.44 117.79 6.15 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.819 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -82.99 39.05 0.62 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.434 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -132.26 -49.28 0.92 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.525 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 14.2 p -110.01 -32.39 7.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 108.308 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.03 23.07 15.72 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.441 1.088 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.548 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -95.95 126.15 40.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 0.734 . . . . 0.0 109.327 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.458 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -85.91 119.63 26.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.32 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.35 -48.81 0.79 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.548 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 17.1 p-80 -102.62 175.56 5.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 0.786 . . . . 0.0 109.58 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.592 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 2.3 pt20 -126.28 163.26 23.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.7 ttt -51.55 -46.47 63.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.41 ' HE3' ' NE2' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -54.4 -32.29 56.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -118.4 34.93 4.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.507 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.7 t -58.73 111.74 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 108.341 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.0 t -73.69 -2.57 23.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.393 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -147.41 53.86 1.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -39.13 -62.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 42.48 62.47 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.254 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.38 -63.43 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.916 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.398 -4.555 3 C1'-O4'-C4' 117.887 9.208 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.354 -8.262 3 C1'-O4'-C4' 118.611 10.013 . 0.409 1L . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' B' B ' 203' ' ' ' A' . . . . . 0.658 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.337 -9.646 3 C1'-O4'-C4' 118.913 10.348 . 0.156 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' B' B ' 204' ' ' ' C' . . . . . 0.658 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.35 -8.57 3 C1'-O4'-C4' 118.768 10.186 . 0.503 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' B' B ' 205' ' ' ' U' . . . . . 0.569 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.089 -30.374 2 C5'-C4'-O4' 136.784 19.703 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' B' B ' 206' ' ' ' A' . . . . . 0.619 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.138 -26.247 2 C5'-C4'-O4' 129.556 14.54 . 0.136 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' B' B ' 207' ' ' ' G' . . . . . 0.619 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.403 -4.194 3 C5'-C4'-O4' 132.346 16.533 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 011 nuclear orig full ' B' B ' 208' ' ' ' C' . . . . . 0.546 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.292 -13.409 2 C1'-O4'-C4' 117.915 9.239 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.308 -12.106 2 C5'-C4'-O4' 139.724 21.803 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' B' B ' 210' ' ' ' G' . . . . . 0.818 ' C5 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.254 -16.586 3 C5'-C4'-O4' 144.87 25.479 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 011 nuclear orig full ' B' B ' 211' ' ' ' A' . . . . . 0.425 " O2'" ' P ' ' B' ' 212' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.407 -3.852 3 C5'-C4'-O4' 145.927 26.234 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . 0.462 " C4'" " H5'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.195 -21.523 1 C1'-O4'-C4' 114.277 5.197 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 011 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.663 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.323 -10.846 2 C1'-O4'-C4' 115.49 6.545 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 011 nuclear orig full ' B' B ' 214' ' ' ' C' . . . . . 0.663 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.403 -4.205 3 C1'-O4'-C4' 117.622 8.914 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' B' B ' 215' ' ' ' U' . . . . . 0.612 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.131 -26.829 2 C1'-O4'-C4' 122.454 14.282 . 0.175 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' B' B ' 216' ' ' ' A' . . . . . 0.405 " C2'" " O4'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.269 -15.297 3 C1'-O4'-C4' 116.724 7.915 . 0.287 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.561 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.399 -4.511 3 O4'-C4'-C3' 92.862 -9.027 . 0.112 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' B' B ' 218' ' ' ' U' . . . . . 0.561 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.376 -6.42 2 O4'-C4'-C3' 93.854 -8.319 . 0.014 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.516 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.381 -5.98 3 C5'-C4'-O4' 96.189 -9.294 . 0.292 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.396 3 C5'-C4'-O4' 96.992 -8.72 . 0.069 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 mmt . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.485 0.183 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.13 -64.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt 66.63 53.71 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.342 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.406 ' HA3' ' NH2' ' A' ' 7' ' ' ARG . . . -58.97 -26.52 60.96 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -59.05 -17.56 26.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 0.74 . . . . 0.0 109.258 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 6' ' ' PHE . 5.0 t80 -60.61 -15.95 33.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.406 ' NH2' ' HA3' ' A' ' 4' ' ' GLY . 9.3 mtt180 -61.17 -13.03 14.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.225 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.46 ' ND2' HG12 ' A' ' 13' ' ' VAL . 11.8 p-10 -56.39 -20.86 21.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -58.51 -14.93 9.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.414 ' NH2' " H3'" ' B' ' 206' ' ' ' A' . 7.9 ptt-85 -59.46 -14.91 14.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.58 ' O ' HG21 ' A' ' 12' ' ' THR . 0.0 OUTLIER -117.46 24.42 11.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.58 HG21 ' O ' ' A' ' 11' ' ' LYS . 3.9 t 51.1 47.11 25.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.437 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.46 HG12 ' ND2' ' A' ' 8' ' ' ASN . 25.4 m -37.03 154.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.53 141.78 36.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.406 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 41.9 t -77.09 111.4 12.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 108.343 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.582 ' CD1' " O4'" ' B' ' 210' ' ' ' G' . 7.2 m-85 -73.11 1.01 9.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -93.39 -66.98 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.484 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 26.4 p -83.53 -43.91 15.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 108.306 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.488 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 107.71 30.13 4.14 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -99.23 -172.31 2.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 0.776 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -134.85 128.82 33.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.233 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.21 5.86 7.8 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.582 1.176 . . . . 0.0 111.033 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -166.54 159.02 13.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 0.79 . . . . 0.0 109.566 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.459 ' CG2' HG23 ' A' ' 13' ' ' VAL . 7.3 pt -111.07 159.15 11.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.455 ' O ' ' NH2' ' A' ' 32' ' ' ARG . . . -49.33 -38.22 27.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.419 ' HB2' ' CD1' ' A' ' 24' ' ' ILE . 6.1 mmmt -59.03 -43.59 91.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -91.58 5.65 48.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.078 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.419 ' HB2' ' HA ' ' A' ' 25' ' ' ALA . 47.4 t -79.97 139.65 36.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 108.273 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.9 -31.05 35.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.404 ' HB1' ' SG ' ' A' ' 28' ' ' CYS . . . -61.0 153.46 65.96 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 158.61 42.15 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.502 1.791 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.455 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -55.68 105.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.03 177.44 7.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 109.227 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.21 52.52 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.47 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -98.21 123.11 7.74 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.421 ' C ' ' H ' ' A' ' 38' ' ' LYS . 26.3 t -56.77 119.02 5.49 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.818 ' CZ2' ' C5 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -83.99 36.43 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.421 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.3 OUTLIER -130.9 -48.93 1.03 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.523 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.4 p -109.74 -32.3 7.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 108.266 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.84 22.38 18.28 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.544 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 4.2 tttt -95.81 127.3 41.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 0.722 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.47 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.49 119.95 28.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 110.312 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.66 -48.88 0.78 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.598 1.186 . . . . 0.0 111.038 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.544 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 15.7 p-80 -101.28 -179.65 4.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 0.788 . . . . 0.0 109.619 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.57 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 5.1 pt20 -129.2 158.18 39.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.362 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.3 ttt -50.57 -46.56 57.76 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -35.12 66.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.01 31.83 6.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.233 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.517 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.8 t -52.11 111.78 0.68 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 108.316 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.8 t -78.92 2.2 21.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.379 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -94.82 -60.16 1.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.75 103.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -178.02 114.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.41 136.44 56.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.2 p30 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 -179.94 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 201' ' ' ' G' . . . . . 0.49 " H2'" ' C8 ' ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.258 -16.236 2 C5'-C4'-O4' 136.919 19.799 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . 0.49 ' C8 ' " H2'" ' B' ' 201' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.261 -15.959 2 C1'-O4'-C4' 120.129 11.699 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' B' B ' 203' ' ' ' A' . . . . . 0.62 " H2'" ' C6 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.297 -12.994 2 C1'-O4'-C4' 118.529 9.921 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' B' B ' 204' ' ' ' C' . . . . . 0.62 ' C6 ' " H2'" ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.084 -30.714 2 C5'-C4'-O4' 131.239 15.742 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' B' B ' 205' ' ' ' U' . . . . . 0.468 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.111 -28.524 2 C1'-O4'-C4' 121.766 13.518 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' B' B ' 206' ' ' ' A' . . . . . 0.597 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.216 -19.755 2 C5'-C4'-O4' 135.098 18.498 OUTLIER-DELTA 0.085 1L . 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' B' B ' 207' ' ' ' G' . . . . . 0.597 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.397 -4.653 3 C5'-C4'-O4' 135.544 18.817 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 012 nuclear orig full ' B' B ' 208' ' ' ' C' . . . . . 0.567 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.157 -24.698 2 C5'-C4'-O4' 129.685 14.632 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.511 ' C2 ' ' C6 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.265 -15.672 1 C5'-C4'-O4' 144.965 25.547 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' B' B ' 210' ' ' ' G' . . . . . 0.81 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.358 -7.938 2 C5'-C4'-O4' 150.549 29.535 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' B' B ' 211' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.119 2 C5'-C4'-O4' 144.631 25.308 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . 0.579 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.402 -4.226 1 O4'-C4'-C3' 92.469 -9.308 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.605 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.248 -17.095 2 C1'-O4'-C4' 117.505 8.783 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 012 nuclear orig full ' B' B ' 214' ' ' ' C' . . . . . 0.605 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.374 -6.62 2 C5'-C4'-O4' 122.785 9.703 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' B' B ' 215' ' ' ' U' . . . . . 0.584 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.235 -18.161 2 C5'-C4'-O4' 137.805 20.432 . 0.016 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' B' B ' 216' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.246 -17.246 2 C1'-O4'-C4' 117.587 8.874 . 0.014 1L . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.564 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.401 -4.355 3 C5'-C4'-O4' 126.776 12.554 . 0.06 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' B' B ' 218' ' ' ' U' . . . . . 0.564 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.339 -9.458 3 C1'-O4'-C4' 116.349 7.499 . 0.045 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.533 ' C6 ' " H2'" ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.346 -8.901 3 C5'-C4'-O4' 96.714 -8.919 . 0.356 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.404 3 C5'-C4'-O4' 95.259 -9.958 . 0.045 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.4 ' O ' ' O ' ' A' ' 2' ' ' GLN . 14.6 mtp . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.572 0.225 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 1' ' ' MET . 2.2 tm0? 54.0 104.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? 70.74 58.5 0.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.7 -19.94 50.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.542 1.151 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -59.11 -16.52 19.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 0.732 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.41 ' CZ ' ' OE1' ' A' ' 9' ' ' GLN . 20.4 t80 -61.56 -18.35 58.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -60.36 -12.6 9.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.235 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.468 ' ND2' HG12 ' A' ' 13' ' ' VAL . 20.4 p-10 -55.96 -19.26 11.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.41 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 53.0 mt-30 -61.54 -11.43 11.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.4 1.062 . . . . 0.0 110.374 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -79.55 3.62 18.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 110.321 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 10' ' ' ARG . 6.6 tttp -131.92 38.67 3.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.528 ' CG2' ' O ' ' A' ' 12' ' ' THR . 3.0 t 35.5 47.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.468 HG12 ' ND2' ' A' ' 8' ' ' ASN . 9.7 m -39.96 154.71 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -106.32 138.9 41.67 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.438 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 42.3 t -78.28 114.35 17.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 108.342 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.52 ' CD1' " O4'" ' B' ' 210' ' ' ' G' . 6.5 m-85 -77.81 8.23 4.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -102.25 -58.09 1.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.075 . . . . 0.0 109.242 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.447 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 24.8 p -94.9 -41.33 9.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.445 1.091 . . . . 0.0 108.378 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.491 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 103.67 28.21 6.07 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -110.71 141.36 44.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.767 . . . . 0.0 109.278 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -84.72 141.75 30.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.376 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.29 -24.7 5.28 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.118 . . . . 0.0 110.948 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -150.65 157.98 43.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 0.777 . . . . 0.0 109.526 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.579 ' HB ' ' C6 ' ' B' ' 212' ' ' ' G' . 12.5 pt -108.21 159.9 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.479 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -48.91 -36.8 18.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -59.37 -45.41 91.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -97.34 14.37 26.4 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.479 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 53.5 t -83.65 145.92 28.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 108.313 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -84.79 -36.88 21.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.94 155.19 8.58 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 155.04 42.51 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.475 1.776 . . . . 0.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.422 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 4.2 mmp_? -54.85 103.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.354 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.22 -176.78 4.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.71 52.76 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.486 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -91.06 121.19 6.19 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.547 1.154 . . . . 0.0 110.961 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.42 ' C ' ' H ' ' A' ' 38' ' ' LYS . 18.0 t -58.06 119.38 6.69 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.81 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -83.93 37.55 0.6 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 107.982 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.42 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -131.99 -49.24 0.94 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.564 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.6 p -110.23 -31.72 7.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 108.269 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.45 22.9 20.57 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.549 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 1.5 tttt -95.28 121.47 36.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.398 0.705 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.486 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -81.5 117.44 21.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.17 -50.32 0.67 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.541 1.151 . . . . 0.0 111.045 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.564 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 16.6 p-80 -101.01 175.28 5.65 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.453 0.737 . . . . 0.0 109.532 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.57 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 1.1 pt20 -124.9 162.15 25.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.9 ttm -51.91 -45.45 64.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.455 1.097 . . . . 0.0 111.05 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -55.18 -34.29 63.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.23 33.88 5.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.485 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 39.3 t -56.66 112.04 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 108.228 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.0 t -85.56 4.91 33.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.385 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -94.27 -68.1 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.58 1.175 . . . . 0.0 110.248 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.8 81.14 0.17 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -164.52 166.39 20.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 110.27 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 55' ' ' ASN . . . -93.87 175.28 6.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 54' ' ' ALA . 4.6 m120 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 201' ' ' ' G' . . . . . 0.61 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.382 -5.914 3 C1'-O4'-C4' 118.089 9.432 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . 0.61 ' C6 ' ' C6 ' ' B' ' 201' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.356 -8.062 2 C1'-O4'-C4' 118.521 9.912 . 0.191 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B ' 203' ' ' ' A' . . . . . 0.658 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.351 -8.48 2 C1'-O4'-C4' 118.712 10.125 . 0.291 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B ' 204' ' ' ' C' . . . . . 0.658 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.276 -14.791 2 C1'-O4'-C4' 119.999 11.555 . 0.531 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B ' 205' ' ' ' U' . . . . . 0.57 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.34 -9.444 2 C1'-O4'-C4' 118.557 9.952 . 0.704 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B ' 206' ' ' ' A' . . . . . 0.508 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.222 -19.288 2 C1'-O4'-C4' 120.541 12.157 . 0.358 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B ' 207' ' ' ' G' . . . . . 0.573 " H2'" ' C6 ' ' B' ' 208' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.362 -7.548 3 C5'-C4'-O4' 136.498 19.498 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 013 nuclear orig full ' B' B ' 208' ' ' ' C' . . . . . 0.573 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.142 -25.886 2 C5'-C4'-O4' 140.797 22.569 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.483 " C3'" H5'' ' B' ' 210' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.205 -20.677 2 C5'-C4'-O4' 124.481 10.915 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' B' B ' 210' ' ' ' G' . . . . . 0.833 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.371 -6.815 2 C5'-C4'-O4' 151.282 30.059 . 0.015 7d . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B ' 211' ' ' ' A' . . . . . 0.572 ' C2 ' ' HB2' ' A' ' 25' ' ' ALA . . . . . . . . 0 O4'--C4' 1.412 -3.443 2 C5'-C4'-O4' 142.47 23.764 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . 0.538 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.086 -30.552 2 C1'-O4'-C4' 122.783 14.648 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.683 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.233 -18.329 2 C5'-C4'-O4' 124.744 11.103 . 0.025 9a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B ' 214' ' ' ' C' . . . . . 0.683 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.388 -5.401 3 C1'-O4'-C4' 118.009 9.344 . 0.467 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B ' 215' ' ' ' U' . . . . . 0.628 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.157 -24.675 1 C1'-O4'-C4' 119.095 10.55 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B ' 216' ' ' ' A' . . . . . 0.526 " H2'" ' C8 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.207 -20.533 1 C1'-O4'-C4' 117.708 9.009 . 0.078 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.559 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.401 -4.354 3 O4'-C4'-C3' 93.544 -8.54 . 0.273 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B ' 218' ' ' ' U' . . . . . 0.564 " H2'" ' C6 ' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.398 -4.575 3 C5'-C4'-O4' 121.852 9.037 . 0.073 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.564 ' C6 ' " H2'" ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.263 -15.807 2 C5'-C4'-O4' 127.416 13.011 . 0.121 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.393 -5.037 3 C1'-O4'-C4' 117.663 8.959 . 0.186 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 mmt . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.42 0.152 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -39.93 159.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.604 1.19 . . . . 0.0 110.281 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -146.71 51.85 1.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.369 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.17 -31.66 77.7 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.42 ' ND2' ' N7 ' ' B' ' 213' ' ' ' G' . 3.0 m-20 -60.47 -14.48 19.62 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.526 0.78 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.462 ' CD1' ' C ' ' A' ' 6' ' ' PHE . 4.4 t80 -55.43 -27.52 48.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -15.0 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.358 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.473 ' HB2' ' CG1' ' A' ' 13' ' ' VAL . 21.1 p-10 -57.01 -17.31 9.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -59.55 -14.31 12.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.497 ' CZ ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -81.02 5.85 15.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -131.06 37.01 3.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.53 ' CG2' ' O ' ' A' ' 12' ' ' THR . 2.7 t 34.71 46.61 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.42 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 8' ' ' ASN . 11.3 m -41.83 154.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.511 ' HE3' ' CZ3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -106.12 140.18 39.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.426 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 43.2 t -80.21 112.48 17.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 108.26 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.513 ' CE1' " H4'" ' B' ' 210' ' ' ' G' . 6.1 m-85 -74.85 6.74 3.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.431 ' ND2' ' HB2' ' A' ' 30' ' ' ALA . 46.1 t30 -101.14 -64.52 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.404 ' O ' ' HB3' ' A' ' 37' ' ' TRP . 27.2 p -87.12 -41.35 13.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.587 1.179 . . . . 0.0 108.311 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.438 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 102.29 31.07 5.42 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.459 1.099 . . . . 0.0 111.054 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.21 143.08 45.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.407 0.71 . . . . 0.0 109.297 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 12' ' ' THR . 1.4 mt-10 -85.95 141.65 29.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.68 -28.74 4.38 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 22.7 p-80 -146.04 158.32 43.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.604 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.538 ' HB ' ' C6 ' ' B' ' 212' ' ' ' G' . 15.3 pt -107.94 159.54 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.572 ' HB2' ' C2 ' ' B' ' 211' ' ' ' A' . . . -48.49 -36.21 14.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -59.45 -46.12 89.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -93.39 9.72 35.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.458 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 48.5 t -83.15 125.86 31.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 108.26 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.424 ' HG2' ' N ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -72.93 -23.69 60.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.442 1.089 . . . . 0.0 110.318 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.431 ' HB2' ' ND2' ' A' ' 17' ' ' ASN . . . -63.2 155.24 74.78 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 151.61 39.64 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.45 1.763 . . . . 0.0 111.041 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.8 mmm-85 -57.34 108.87 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.6 -175.97 3.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -147.27 53.47 1.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.481 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -95.81 124.49 8.05 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.571 1.169 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.437 ' C ' ' H ' ' A' ' 38' ' ' LYS . 14.6 t -58.7 117.89 5.07 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.833 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -82.87 38.21 0.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 107.979 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.437 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -131.77 -49.33 0.96 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.515 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.4 p -109.96 -32.99 6.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 108.263 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.49 22.39 14.53 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.557 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 1.8 tttt -95.42 127.84 41.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 0.756 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.481 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 1.9 pt-20 -87.67 120.19 28.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.59 -48.27 0.83 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.442 1.089 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.557 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 15.0 p-80 -102.38 177.0 4.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 0.73 . . . . 0.0 109.609 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.575 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 2.0 pt20 -126.09 158.5 35.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.14 . . . . 0.0 110.309 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.8 tmm? -51.0 -44.59 60.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.21 -35.98 67.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -114.11 32.74 5.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.504 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 35.5 t -53.66 111.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 108.31 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 t -79.64 3.4 19.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.361 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -155.79 79.02 1.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.1 ptt-85 -75.27 118.16 17.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 179.19 -179.36 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 65.13 -179.86 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.1 p30 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.246 -179.948 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.322 -10.904 2 C5'-C4'-O4' 128.737 13.955 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.365 -7.303 3 C5'-C4'-O4' 127.87 13.336 . 0.148 1L . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' B' B ' 203' ' ' ' A' . . . . . 0.619 " H2'" ' C6 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.34 -9.412 2 C1'-O4'-C4' 118.61 10.012 . 0.016 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 204' ' ' ' C' . . . . . 0.619 ' C6 ' " H2'" ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.115 -28.146 2 C5'-C4'-O4' 139.332 21.523 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' B' B ' 205' ' ' ' U' . . . . . 0.576 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.4 -4.397 3 C5'-C4'-O4' 139.925 21.947 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 014 nuclear orig full ' B' B ' 206' ' ' ' A' . . . . . 0.527 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.296 -13.096 2 C1'-O4'-C4' 117.729 9.032 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' B' B ' 207' ' ' ' G' . . . . . 0.57 " H2'" ' C6 ' ' B' ' 208' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.304 -12.426 3 C5'-C4'-O4' 127.223 12.874 . 0.105 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 208' ' ' ' C' . . . . . 0.57 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.396 -4.789 3 C5'-C4'-O4' 96.669 -8.951 . 0.01 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.5 ' N2 ' ' C5 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.259 -16.208 3 C5'-C4'-O4' 134.464 18.045 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 014 nuclear orig full ' B' B ' 210' ' ' ' G' . . . . . 0.821 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.113 -28.321 2 C1'-O4'-C4' 121.499 13.222 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 014 nuclear orig full ' B' B ' 211' ' ' ' A' . . . . . 0.566 ' C6 ' ' CB ' ' A' ' 25' ' ' ALA . . . . . . . . 0 O4'--C4' 1.408 -3.751 2 C5'-C4'-O4' 124.123 10.659 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . 0.567 " H4'" ' C8 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.107 -28.814 2 C1'-O4'-C4' 121.706 13.451 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 014 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.608 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.26 -16.087 2 C5'-C4'-O4' 137.798 20.427 . 0.01 9a . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 214' ' ' ' C' . . . . . 0.608 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.401 -4.308 3 C5'-C4'-O4' 122.182 9.273 . 0.535 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 215' ' ' ' U' . . . . . 0.582 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.206 -20.555 2 C5'-C4'-O4' 135.821 19.015 . 0.014 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 216' ' ' ' A' . . . . . 0.417 " H2'" ' C8 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.322 -10.927 2 O4'-C4'-C3' 95.611 -7.064 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.559 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.325 -10.673 3 C5'-C4'-O4' 128.444 13.746 . 0.068 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 218' ' ' ' U' . . . . . 0.569 " H2'" ' C6 ' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.322 -10.915 2 O4'-C4'-C3' 95.76 -6.957 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.569 ' C6 ' " H2'" ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.282 -14.243 2 C1'-O4'-C4' 118.267 9.63 . 0.781 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.399 -4.516 3 C5'-C4'-O4' 93.302 -11.355 . 0.117 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.513 0.197 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -54.79 -177.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt 67.53 55.6 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.32 -19.36 46.47 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.505 1.128 . . . . 0.0 111.056 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -55.58 -19.92 11.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 0.726 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.08 -15.18 8.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.377 1.048 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.445 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -60.21 -9.11 2.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.449 ' ND2' HG12 ' A' ' 13' ' ' VAL . 25.4 p-10 -57.01 -25.59 58.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -60.9 -11.02 6.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.445 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -80.39 0.4 33.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.082 . . . . 0.0 110.266 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 12' ' ' THR . 11.9 ttpt -128.07 38.2 4.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.637 1.211 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.517 ' CG2' ' O ' ' A' ' 12' ' ' THR . 3.6 t 35.67 48.04 0.43 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.424 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.449 HG12 ' ND2' ' A' ' 8' ' ' ASN . 9.9 m -39.1 154.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.85 134.18 51.88 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 42.6 t -72.04 113.42 9.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 108.287 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.466 ' CD2' ' C6 ' ' B' ' 212' ' ' ' G' . 6.5 m-85 -77.39 7.87 4.85 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.547 1.154 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -101.96 -58.63 1.84 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.568 1.167 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 27.4 p -93.53 -42.2 9.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 0.0 108.342 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 103.94 31.25 4.84 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.47 1.107 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.27 139.01 50.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 0.732 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -82.06 144.8 30.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.253 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.43 -22.7 6.95 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.483 1.115 . . . . 0.0 110.995 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.1 p-80 -152.51 157.46 41.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 109.587 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.561 ' HB ' ' C6 ' ' B' ' 212' ' ' ' G' . 14.6 pt -107.34 161.51 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.566 ' CB ' ' C6 ' ' B' ' 211' ' ' ' A' . . . -48.17 -36.95 14.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.37 -45.87 91.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -92.86 13.35 20.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.622 1.201 . . . . 0.0 109.319 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.428 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 48.9 t -84.91 138.33 32.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 108.377 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.6 ttt85 -79.95 -30.18 39.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.342 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.52 155.3 69.03 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.244 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 154.06 42.0 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.478 1.778 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.72 107.57 0.35 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.354 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.47 -175.84 3.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.57 54.55 0.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.235 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.481 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -98.14 126.9 9.05 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.444 ' C ' ' H ' ' A' ' 38' ' ' LYS . 13.2 t -58.23 118.53 5.59 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.821 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -82.45 38.47 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 108.018 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -132.67 -49.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 109.353 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.542 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.2 p -110.28 -32.87 6.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 108.289 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.62 20.68 18.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.438 1.087 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.587 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -93.69 127.91 39.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.481 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 18.0 pt-20 -87.31 123.07 31.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.19 -45.96 1.06 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.509 1.13 . . . . 0.0 110.965 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.587 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 9.7 p-80 -104.75 171.9 7.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.592 0.819 . . . . 0.0 109.638 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.579 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 2.9 pt20 -123.78 163.54 20.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.06 -49.72 60.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.478 ' CB ' ' OE1' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -53.36 -31.09 42.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.01 34.46 5.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.532 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.0 t -53.09 112.06 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 108.245 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.453 HG21 ' CE1' ' A' ' 44' ' ' HIS . 11.5 t -78.29 1.98 19.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.463 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -154.9 65.71 0.66 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.4 ptt-85 -57.41 139.55 52.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.63 151.11 0.44 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.31 -60.46 2.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.155 . . . . 0.0 109.23 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 64.6 t30 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.357 -179.944 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 201' ' ' ' G' . . . . . 0.498 " H2'" ' C8 ' ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.358 -7.937 3 C1'-O4'-C4' 118.488 9.875 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . 0.498 ' C8 ' " H2'" ' B' ' 201' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.352 -8.396 2 C1'-O4'-C4' 118.592 9.991 . 0.213 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' B' B ' 203' ' ' ' A' . . . . . 0.642 " H2'" ' C6 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.349 -8.687 3 C1'-O4'-C4' 118.444 9.826 . 0.141 1m . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' B' B ' 204' ' ' ' C' . . . . . 0.642 ' C6 ' " H2'" ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.336 -9.728 2 C1'-O4'-C4' 117.442 8.713 . 0.334 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' B' B ' 205' ' ' ' U' . . . . . 0.593 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.363 -7.477 3 C5'-C4'-O4' 94.996 -10.146 . 0.23 7a . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' B' B ' 206' ' ' ' A' . . . . . 0.512 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.214 -19.956 2 C5'-C4'-O4' 133.998 17.713 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 5 4 . 1 . 015 nuclear orig full ' B' B ' 207' ' ' ' G' . . . . . 0.571 " H2'" ' C6 ' ' B' ' 208' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.305 -12.316 3 C5'-C4'-O4' 134.515 18.082 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 015 nuclear orig full ' B' B ' 208' ' ' ' C' . . . . . 0.571 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.103 -29.152 2 C5'-C4'-O4' 132.056 16.325 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 015 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.469 " C2'" H5'' ' B' ' 210' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.204 -20.765 2 C5'-C4'-O4' 133.146 17.104 OUTLIER-DELTA 0.0 OUTLIER beta 0.0 . . . . . . . . . . 5 4 . 1 . 015 nuclear orig full ' B' B ' 210' ' ' ' G' . . . . . 0.807 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.204 -20.732 2 C5'-C4'-O4' 142.728 23.949 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 015 nuclear orig full ' B' B ' 211' ' ' ' A' . . . . . 0.553 ' C6 ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 O4'--C4' 1.406 -3.902 3 C5'-C4'-O4' 146.929 26.95 OUTLIER-DELTA 0.0 OUTLIER '7D dist 9a' 0.0 . . . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . 0.587 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.348 -8.716 2 O4'-C4'-C3' 94.685 -7.725 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 015 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.639 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.265 -15.681 2 C1'-O4'-C4' 117.98 9.311 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 015 nuclear orig full ' B' B ' 214' ' ' ' C' . . . . . 0.639 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.403 -4.132 2 C5'-C4'-O4' 129.319 14.371 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 015 nuclear orig full ' B' B ' 215' ' ' ' U' . . . . . 0.599 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.129 -26.999 2 C5'-C4'-O4' 140.662 22.473 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 015 nuclear orig full ' B' B ' 216' ' ' ' A' . . . . . 0.423 ' C6 ' ' C6 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.286 -13.941 3 C1'-O4'-C4' 118.537 9.93 . 0.147 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.623 ' C5 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.38 -6.053 3 C5'-C4'-O4' 129.176 14.269 . 0.037 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' B' B ' 218' ' ' ' U' . . . . . 0.623 ' C4 ' ' C5 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.375 -6.538 3 C5'-C4'-O4' 131.058 15.613 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.498 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.293 -13.334 3 C5'-C4'-O4' 148.683 28.202 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 015 nuclear orig full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.366 -7.267 2 O4'-C4'-C3' 94.764 -7.669 . 0.01 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 ttm . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.499 0.19 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -129.39 -47.13 1.19 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.37 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 80.89 67.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.157 . . . . 0.0 109.258 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.7 -31.42 71.3 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -57.92 -15.46 8.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 0.752 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.546 ' CZ ' ' HG3' ' A' ' 9' ' ' GLN . 32.6 t80 -58.34 -14.02 6.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.492 ' NH2' ' N6 ' ' B' ' 206' ' ' ' A' . 1.1 ptt180 -56.06 -17.67 7.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.47 ' ND2' HG12 ' A' ' 13' ' ' VAL . 14.8 p-10 -55.75 -18.69 8.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.36 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.546 ' HG3' ' CZ ' ' A' ' 6' ' ' PHE . 0.5 OUTLIER -60.43 -12.53 9.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.366 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.507 ' CZ ' ' OP2' ' B' ' 206' ' ' ' A' . 0.0 OUTLIER -68.8 -7.18 31.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 12' ' ' THR . 13.6 ttpp -126.52 39.55 3.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.537 ' CG2' ' O ' ' A' ' 12' ' ' THR . 3.7 t 35.18 48.89 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.47 HG12 ' ND2' ' A' ' 8' ' ' ASN . 11.6 m -37.3 154.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.235 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.25 133.37 50.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.383 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.4 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 42.2 t -67.71 112.21 4.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.451 1.094 . . . . 0.0 108.273 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.602 ' CE1' " H5'" ' B' ' 210' ' ' ' G' . 1.3 m-85 -75.4 4.12 7.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.428 ' ND2' ' HB2' ' A' ' 30' ' ' ALA . 40.0 t30 -96.97 -65.64 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 109.359 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 37' ' ' TRP . 26.3 p -84.38 -40.65 17.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.565 1.166 . . . . 0.0 108.315 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.545 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 104.64 28.88 5.53 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -98.4 -171.21 2.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -135.16 128.0 31.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.085 . . . . 0.0 110.311 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 122.73 11.67 5.34 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -173.78 157.78 3.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.619 0.834 . . . . 0.0 109.578 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.587 ' HB ' ' C6 ' ' B' ' 212' ' ' ' G' . 12.2 pt -110.9 159.41 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.553 ' HB3' ' C6 ' ' B' ' 211' ' ' ' A' . . . -49.73 -36.1 24.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.422 ' HA ' ' NH2' ' A' ' 32' ' ' ARG . 5.4 mmmt -59.05 -44.73 91.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -92.98 5.83 50.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.62 1.2 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.465 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 42.5 t -80.09 135.48 36.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 108.285 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -30.5 61.84 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.428 ' HB2' ' ND2' ' A' ' 17' ' ' ASN . . . -64.82 150.22 94.99 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 157.72 42.57 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.481 1.78 . . . . 0.0 110.952 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.46 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 0.2 OUTLIER -56.16 102.07 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -122.12 -177.63 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.594 1.184 . . . . 0.0 109.305 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.51 49.76 1.6 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.566 1.166 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -92.34 120.33 6.08 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.536 1.148 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.422 ' C ' ' H ' ' A' ' 38' ' ' LYS . 11.9 t -60.15 116.81 4.47 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.807 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -83.28 39.53 0.66 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.13 . . . . 0.0 107.979 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.422 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -131.96 -48.9 0.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.524 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 17.7 p -108.79 -33.03 7.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 108.262 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.15 25.21 11.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.557 1.16 . . . . 0.0 111.062 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.547 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -97.77 128.41 44.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 109.336 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.401 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 1.6 pt-20 -88.26 115.73 25.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 110.344 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 145.0 -50.4 0.64 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.539 1.149 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.547 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 20.1 p-80 -100.91 178.51 4.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 0.751 . . . . 0.0 109.656 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.576 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 1.4 pt20 -131.03 163.86 26.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.343 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.6 ttp -52.23 -40.15 61.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -55.07 -33.48 62.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.394 1.059 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -123.9 39.85 3.87 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.487 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 35.0 t -57.81 112.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 108.255 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.5 t -83.92 4.74 28.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.417 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.411 ' HG3' ' CB ' ' A' ' 39' ' ' CYS . 12.2 pt-20 -162.9 84.67 0.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.37 148.89 47.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 110.321 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.412 ' O ' ' CD ' ' A' ' 38' ' ' LYS . 9.1 tp60 179.72 164.04 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -108.24 59.86 0.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.399 -4.477 3 C5'-C4'-O4' 131.616 16.011 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . 0.408 " H2'" ' C8 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.377 -6.306 2 C1'-O4'-C4' 118.211 9.568 . 0.026 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 203' ' ' ' A' . . . . . 0.628 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.263 -15.827 2 C1'-O4'-C4' 119.657 11.174 . 0.342 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 204' ' ' ' C' . . . . . 0.628 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.345 -8.976 2 C1'-O4'-C4' 118.41 9.789 . 0.028 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 205' ' ' ' U' . . . . . 0.572 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.401 -4.292 3 C1'-O4'-C4' 116.82 8.022 . 0.385 7a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 206' ' ' ' A' . . . . . 0.534 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.205 -20.682 2 C1'-O4'-C4' 120.756 12.395 . 0.031 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 207' ' ' ' G' . . . . . 0.584 " H2'" ' C6 ' ' B' ' 208' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.398 -4.594 3 C5'-C4'-O4' 126.791 12.565 . 0.039 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 208' ' ' ' C' . . . . . 0.584 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.279 -14.504 3 C1'-O4'-C4' 117.942 9.269 . 0.01 7a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.645 ' N2 ' ' C6 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.31 -11.941 2 C5'-C4'-O4' 136.407 19.433 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 016 nuclear orig full ' B' B ' 210' ' ' ' G' . . . . . 0.834 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.072 -31.749 1 C1'-O4'-C4' 123.627 15.586 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 016 nuclear orig full ' B' B ' 211' ' ' ' A' . . . . . 0.519 " H1'" ' P ' ' B' ' 212' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.39 -5.282 1 C5'-C4'-O4' 98.688 -7.509 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 5 4 . 1 . 016 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . 0.576 " H4'" ' C8 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.127 -27.188 2 C1'-O4'-C4' 119.354 10.838 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 5 4 . 1 . 016 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.645 ' C6 ' ' N2 ' ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.248 -17.055 2 C1'-O4'-C4' 118.468 9.853 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' B' B ' 214' ' ' ' C' . . . . . 0.629 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.402 -4.219 3 C5'-C4'-O4' 122.561 9.544 . 0.3 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 215' ' ' ' U' . . . . . 0.584 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.137 -26.31 2 C5'-C4'-O4' 141.097 22.783 OUTLIER-DELTA 0.024 1a . 0.0 . . . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' B' B ' 216' ' ' ' A' . . . . . 0.485 ' C6 ' ' C6 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.312 -11.76 2 C1'-O4'-C4' 116.913 8.126 . 0.478 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.536 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.311 -11.862 3 C5'-C4'-O4' 125.3 11.5 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 218' ' ' ' U' . . . . . 0.561 " H2'" ' C6 ' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.389 -5.316 3 C5'-C4'-O4' 122.902 9.787 . 0.165 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.567 " H2'" ' C6 ' ' B' ' 220' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.313 -11.675 2 C5'-C4'-O4' 126.845 12.604 . 0.082 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 220' ' ' ' C' . . . . . 0.567 ' C6 ' " H2'" ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.353 -8.31 2 C5'-C4'-O4' 150.845 29.747 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.417 ' N ' ' OP1' ' B' ' 203' ' ' ' A' . 5.0 mtm . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.455 0.169 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 79.7 51.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.3 mmtm 71.65 59.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.61 -27.88 61.86 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.115 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.501 ' CB ' ' OP2' ' B' ' 213' ' ' ' G' . 4.6 t30 -59.66 -16.29 25.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 0.774 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -60.16 -14.05 15.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.414 ' HB2' ' NH2' ' A' ' 10' ' ' ARG . 21.6 ptt-85 -60.62 -13.44 14.43 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.518 1.136 . . . . 0.0 110.251 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.464 ' ND2' HG12 ' A' ' 13' ' ' VAL . 20.7 p-10 -56.15 -18.78 11.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.353 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -14.83 16.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.575 1.172 . . . . 0.0 110.278 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.454 ' HB3' ' CZ ' ' A' ' 10' ' ' ARG . 5.7 ptp180 -59.96 -14.83 17.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.351 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.467 ' O ' ' CG ' ' A' ' 11' ' ' LYS . 5.6 ttpp -117.3 35.77 4.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.367 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.533 ' CG2' ' O ' ' A' ' 12' ' ' THR . 3.8 t 36.64 48.49 0.64 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 110.408 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.464 HG12 ' ND2' ' A' ' 8' ' ' ASN . 10.7 m -38.63 155.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.363 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -105.83 143.87 33.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.427 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 45.2 t -79.93 111.63 16.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 108.312 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.445 ' CD2' ' C6 ' ' B' ' 212' ' ' ' G' . 14.2 m-85 -72.21 -0.12 11.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -92.64 -68.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.478 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 26.5 p -82.44 -44.09 16.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 108.27 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.525 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 107.24 30.27 4.21 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.446 1.091 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -98.89 -172.15 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.367 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -134.43 127.11 30.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.396 1.06 . . . . 0.0 110.358 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.74 3.6 7.03 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.519 1.137 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 -166.03 160.22 16.31 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 0.79 . . . . 0.0 109.618 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.572 ' HB ' ' C6 ' ' B' ' 212' ' ' ' G' . 6.0 pt -112.47 161.26 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.404 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -49.8 -40.19 40.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -58.82 -42.29 88.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -95.31 12.0 30.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 24' ' ' ILE . 44.1 t -84.6 134.22 34.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 108.362 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -30.98 56.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 110.345 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.01 158.74 24.09 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 148.99 35.97 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.441 1.759 . . . . 0.0 110.958 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 -58.62 110.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 110.371 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -142.83 -174.52 4.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.79 49.83 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.52 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -84.46 126.06 7.45 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.576 1.173 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.46 ' C ' ' H ' ' A' ' 38' ' ' LYS . 26.3 t -59.63 123.56 17.3 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.834 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -82.8 35.22 0.46 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.48 1.112 . . . . 0.0 108.009 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.46 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.2 OUTLIER -133.51 -49.86 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.544 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.4 p -109.98 -31.85 7.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 108.325 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.8 21.72 22.86 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.556 1.16 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.488 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 5.4 tptt -94.29 123.87 37.96 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.435 0.727 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.52 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 22.7 pt-20 -83.35 114.91 21.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.62 -52.91 0.53 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.444 1.09 . . . . 0.0 111.026 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.544 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 25.5 p-80 -98.48 174.46 6.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.42 0.718 . . . . 0.0 109.602 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.559 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 6.6 pt20 -121.97 159.86 26.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.381 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.6 tmm? -52.05 -40.22 60.78 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.48 1.112 . . . . 0.0 111.037 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.07 -33.74 63.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.574 1.171 . . . . 0.0 109.405 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -119.54 37.04 4.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.371 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 35.6 t -58.17 111.32 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.592 1.183 . . . . 0.0 108.281 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.0 t -80.77 4.72 18.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.393 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.457 ' HG3' ' CB ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -96.65 -58.5 2.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.339 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 68.68 77.18 0.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -170.03 177.12 4.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -149.56 155.6 40.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 47.8 t30 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.399 -4.488 3 C5'-C4'-O4' 131.235 15.739 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.376 -6.4 2 C1'-O4'-C4' 118.102 9.447 . 0.151 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' B' B ' 203' ' ' ' A' . . . . . 0.654 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.325 -10.667 3 C1'-O4'-C4' 118.59 9.988 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' B' B ' 204' ' ' ' C' . . . . . 0.654 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.399 -4.485 2 C1'-O4'-C4' 117.341 8.601 . 0.619 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' B' B ' 205' ' ' ' U' . . . . . 0.584 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.261 -15.992 2 C1'-O4'-C4' 119.289 10.765 . 0.254 7a . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' B' B ' 206' ' ' ' A' . . . . . 0.533 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.278 -14.601 3 C5'-C4'-O4' 126.177 12.126 . 0.085 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' B' B ' 207' ' ' ' G' . . . . . 0.533 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.303 -12.468 3 C5'-C4'-O4' 125.611 11.722 . 0.013 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' B' B ' 208' ' ' ' C' . . . . . 0.475 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.123 -27.476 1 C1'-O4'-C4' 120.936 12.596 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.475 " C3'" H5'' ' B' ' 210' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.368 -7.113 3 C5'-C4'-O4' 121.004 8.431 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' B' B ' 210' ' ' ' G' . . . . . 0.808 ' C5 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.38 -6.051 2 C5'-C4'-O4' 151.342 30.102 OUTLIER-DELTA 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 5 4 . 1 . 017 nuclear orig full ' B' B ' 211' ' ' ' A' . . . . . 0.405 ' N1 ' ' HB2' ' A' ' 25' ' ' ALA . . . . . . . . 1 O4'--C4' 1.404 -4.108 2 C5'-C4'-O4' 139.019 21.299 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 017 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . 0.598 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.159 -24.489 2 C5'-C4'-O4' 94.766 -10.31 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 017 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.663 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.271 -15.198 2 C5'-C4'-O4' 130.419 15.157 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' B' B ' 214' ' ' ' C' . . . . . 0.663 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.395 -4.846 2 C5'-C4'-O4' 127.532 13.094 . 0.33 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' B' B ' 215' ' ' ' U' . . . . . 0.588 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.106 -28.945 2 C5'-C4'-O4' 138.727 21.09 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' B' B ' 216' ' ' ' A' . . . . . 0.452 " H2'" ' C8 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.31 -11.893 3 C5'-C4'-O4' 122.871 9.765 . 0.404 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.568 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.4 -4.397 3 O4'-C4'-C3' 93.669 -8.451 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' B' B ' 218' ' ' ' U' . . . . . 0.568 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.36 -7.76 2 O4'-C4'-C3' 94.49 -7.864 . 0.059 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.508 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.401 -4.369 3 O4'-C4'-C3' 93.582 -8.513 . 0.454 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' B' B ' 220' ' ' ' C' . . . . . 0.424 ' N4 ' ' C4 ' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.399 -4.477 2 C1'-O4'-C4' 117.689 8.988 . 0.075 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.37 0 CA-C-O 120.423 0.154 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -46.67 172.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 110.293 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 72.71 60.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.343 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.89 -21.57 55.83 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.571 1.169 . . . . 0.0 110.923 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -61.6 -14.04 27.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -58.05 -20.4 38.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.93 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.52 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 6.0 mmp_? -59.32 -11.73 4.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.605 ' ND2' ' CG1' ' A' ' 13' ' ' VAL . 50.1 t30 -58.03 -38.52 76.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -62.25 -11.85 17.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.412 1.07 . . . . 0.0 110.272 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.52 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 16.8 ptt85 -63.43 -10.8 18.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.496 ' O ' ' CG ' ' A' ' 11' ' ' LYS . 1.2 tttm -118.48 37.28 4.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.355 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.569 ' CG2' ' O ' ' A' ' 12' ' ' THR . 1.6 t 38.27 45.29 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.415 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.605 ' CG1' ' ND2' ' A' ' 8' ' ' ASN . 25.6 m -42.41 154.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.557 ' HD3' ' CH2' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -100.53 126.45 46.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.496 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 42.6 t -62.24 121.35 12.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 108.296 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.607 ' CD1' " O4'" ' B' ' 210' ' ' ' G' . 4.1 m-85 -82.5 14.59 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -113.79 -45.51 3.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 22.2 p -112.39 -37.74 4.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 108.312 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.496 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 110.15 -18.67 28.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.127 . . . . 0.0 111.009 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.55 136.71 56.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 0.729 . . . . 0.0 109.234 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.94 143.56 27.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.298 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.15 -40.62 1.7 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -130.79 157.6 42.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 109.623 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.598 ' HB ' ' C6 ' ' B' ' 212' ' ' ' G' . 16.1 pt -104.69 157.63 5.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.164 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.474 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -47.52 -35.78 9.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.445 ' HG3' ' C8 ' ' B' ' 212' ' ' ' G' . 1.9 mmmt -59.53 -47.41 85.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -93.26 10.25 32.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.474 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 43.7 t -80.89 137.3 36.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 108.345 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.77 -30.72 32.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.343 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.08 155.32 8.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 154.19 42.43 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.505 1.792 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.39 104.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.39 179.44 5.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.582 1.176 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.6 mtmt -148.93 54.11 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.446 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -101.38 125.95 8.74 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.423 ' C ' ' H ' ' A' ' 38' ' ' LYS . 18.9 t -59.49 118.79 6.45 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.808 ' CZ2' ' C5 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -84.21 37.7 0.63 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 0.0 107.997 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.423 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.3 OUTLIER -131.68 -48.84 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.519 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.6 p -109.25 -32.02 7.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 108.297 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.34 23.11 17.55 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.572 1.17 . . . . 0.0 110.958 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.521 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -96.73 129.88 44.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 0.742 . . . . 0.0 109.276 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.446 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -89.42 121.31 31.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 110.273 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.33 -48.35 0.84 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.585 1.178 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.521 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 17.8 p-80 -102.36 179.58 4.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 0.79 . . . . 0.0 109.555 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.58 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 1.5 pt20 -130.08 161.37 31.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.4 ttp -50.7 -43.94 57.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 111.065 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -36.81 68.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -114.05 33.48 5.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.505 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 35.7 t -55.05 111.46 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 108.307 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.1 t -78.67 2.42 19.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.382 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -149.03 69.04 1.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.098 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -72.04 73.4 0.89 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.254 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -170.63 99.98 0.24 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -127.25 -61.88 1.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.396 -4.723 3 C5'-C4'-O4' 123.793 10.423 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.349 -8.7 2 C1'-O4'-C4' 118.746 10.163 . 0.118 1L . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' B' B ' 203' ' ' ' A' . . . . . 0.614 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.365 -7.354 2 C1'-O4'-C4' 117.87 9.188 . 0.527 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' B' B ' 204' ' ' ' C' . . . . . 0.614 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.28 -14.456 2 C1'-O4'-C4' 119.806 11.34 . 0.701 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' B' B ' 205' ' ' ' U' . . . . . 0.57 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.362 -7.568 3 O4'-C4'-C3' 94.119 -8.129 . 0.203 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' B' B ' 206' ' ' ' A' . . . . . 0.567 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.245 -17.329 2 C5'-C4'-O4' 134.937 18.383 OUTLIER-DELTA 0.032 1L . 0.0 . . . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' B' B ' 207' ' ' ' G' . . . . . 0.599 " H2'" ' C6 ' ' B' ' 208' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.394 -4.9 3 C5'-C4'-O4' 134.984 18.417 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 018 nuclear orig full ' B' B ' 208' ' ' ' C' . . . . . 0.599 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.162 -24.266 2 C5'-C4'-O4' 137.169 19.978 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.54 ' N2 ' ' C6 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.23 -18.614 1 C5'-C4'-O4' 143.745 24.675 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' B' B ' 210' ' ' ' G' . . . . . 0.812 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.349 -8.708 2 C5'-C4'-O4' 150.193 29.281 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' B' B ' 211' ' ' ' A' . . . . . 0.482 " O4'" ' CD2' ' A' ' 16' ' ' PHE . . . . . . . . 0 O4'--C4' 1.408 -3.742 2 C5'-C4'-O4' 142.76 23.972 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . 0.43 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.162 -24.281 1 C1'-O4'-C4' 116.609 7.787 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 5 4 . 1 . 018 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.646 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.216 -19.71 2 C1'-O4'-C4' 119.89 11.433 . 0.019 9a . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' B' B ' 214' ' ' ' C' . . . . . 0.646 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.402 -4.228 2 C1'-O4'-C4' 117.798 9.109 . 0.587 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' B' B ' 215' ' ' ' U' . . . . . 0.612 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.224 -19.047 1 C1'-O4'-C4' 119.161 10.623 . 0.384 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' B' B ' 216' ' ' ' A' . . . . . 0.496 ' C6 ' ' C6 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.335 -9.833 2 O4'-C4'-C3' 95.191 -7.363 . 0.182 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.674 ' C5 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.33 -10.23 3 C5'-C4'-O4' 124.932 11.237 . 0.111 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' B' B ' 218' ' ' ' U' . . . . . 0.674 ' C4 ' ' C5 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.261 -15.977 2 C5'-C4'-O4' 136.141 19.243 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 018 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.567 ' C6 ' " H2'" ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.264 -15.786 3 C5'-C4'-O4' 147.05 27.035 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 018 nuclear orig full ' B' B ' 220' ' ' ' C' . . . . . 0.503 ' C6 ' " H2'" ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.304 -12.42 3 C1'-O4'-C4' 118.211 9.568 . 0.02 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.464 ' CE ' ' HB2' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.491 0.186 . . . . 0.0 111.019 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.464 ' HB2' ' CE ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -128.11 78.01 1.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 110.352 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.5 69.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.67 -15.48 40.97 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.488 1.118 . . . . 0.0 111.022 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.503 ' CB ' ' OP2' ' B' ' 213' ' ' ' G' . 12.1 t30 -58.8 -19.55 42.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.47 ' CE1' HD12 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -58.71 -14.22 7.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 111.072 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.469 ' CZ ' ' HA ' ' A' ' 5' ' ' ASN . 1.1 ptt85 -60.03 -10.16 3.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.463 ' ND2' HG12 ' A' ' 13' ' ' VAL . 22.4 p-10 -56.51 -31.64 64.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -55.62 -17.92 6.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.587 1.179 . . . . 0.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.92 -15.72 14.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.258 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.595 ' O ' HG21 ' A' ' 12' ' ' THR . 0.0 OUTLIER -112.81 23.3 13.6 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.595 HG21 ' O ' ' A' ' 11' ' ' LYS . 2.2 t 52.87 46.47 26.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.463 HG12 ' ND2' ' A' ' 8' ' ' ASN . 28.6 m -38.28 156.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -104.02 136.89 42.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.4 t -73.23 112.52 9.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 108.344 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.608 ' CD1' " O4'" ' B' ' 210' ' ' ' G' . 12.4 m-85 -77.56 5.09 9.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 110.957 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -96.84 -56.49 2.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.347 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.442 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 27.9 p -95.65 -44.4 7.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 108.332 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.6 30.38 3.55 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.557 1.161 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -100.17 -171.74 2.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 0.812 . . . . 0.0 109.241 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -134.7 131.35 37.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.45 15.77 6.32 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.429 1.081 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -176.16 158.93 2.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 0.729 . . . . 0.0 109.545 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.47 HD12 ' CE1' ' A' ' 6' ' ' PHE . 7.6 pt -110.05 162.17 7.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.423 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -49.37 -39.66 32.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -59.82 -42.58 93.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.35 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.431 ' OD1' ' CZ ' ' A' ' 6' ' ' PHE . 88.2 m-20 -89.61 9.15 27.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.423 ' HB2' ' HA ' ' A' ' 25' ' ' ALA . 35.1 t -83.95 134.67 34.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 108.305 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -75.82 -26.35 57.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.84 158.92 81.78 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 149.83 37.52 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 111.029 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.54 106.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.265 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.76 -175.91 3.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.28 50.12 1.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.486 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -90.44 119.91 5.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.429 ' C ' ' H ' ' A' ' 38' ' ' LYS . 12.6 t -56.5 120.64 8.06 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.812 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -83.69 38.89 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 108.017 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.429 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -133.52 -49.4 0.84 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.545 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.6 p -110.22 -31.79 7.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 108.296 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.75 21.27 21.86 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.511 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -93.76 126.85 39.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.754 . . . . 0.0 109.327 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.486 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -86.91 112.81 22.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.168 . . . . 0.0 110.235 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 150.29 -53.74 0.5 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.545 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 27.0 p-80 -97.08 174.55 6.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.434 0.726 . . . . 0.0 109.589 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.543 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 7.3 pt20 -121.9 160.51 24.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 0.0 110.288 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -52.91 -37.47 60.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.54 -36.29 66.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.69 36.31 4.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.417 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 35.0 t -54.25 111.68 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 108.315 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.0 t -79.5 3.08 19.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 110.394 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.47 -42.46 7.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.233 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 65.87 171.97 0.23 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -39.59 -62.05 0.74 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.493 1.121 . . . . 0.0 110.364 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 53.99 178.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.3 t30 . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.413 3 C5'-C4'-O4' 130.711 15.365 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.352 -8.455 2 C1'-O4'-C4' 118.622 10.024 . 0.021 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' B' B ' 203' ' ' ' A' . . . . . 0.622 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.362 -7.553 3 C1'-O4'-C4' 117.91 9.233 . 0.61 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' B' B ' 204' ' ' ' C' . . . . . 0.622 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.306 -12.242 2 C1'-O4'-C4' 119.407 10.897 . 0.483 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' B' B ' 205' ' ' ' U' . . . . . 0.571 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.401 -4.363 3 C1'-O4'-C4' 117.575 8.861 . 0.123 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' B' B ' 206' ' ' ' A' . . . . . 0.417 " H3'" ' NH2' ' A' ' 10' ' ' ARG . . . . . . . . 1 O4'--C4' 1.155 -24.795 2 C1'-O4'-C4' 121.93 13.7 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' B' B ' 207' ' ' ' G' . . . . . 0.577 " H2'" ' C6 ' ' B' ' 208' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.253 -16.653 3 C5'-C4'-O4' 132.664 16.76 OUTLIER-DELTA 0.01 1a . 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' B' B ' 208' ' ' ' C' . . . . . 0.577 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.08 -31.044 2 C5'-C4'-O4' 130.571 15.265 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.461 " C4'" ' C8 ' ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.26 -16.088 1 C5'-C4'-O4' 145.264 25.76 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' B' B ' 210' ' ' ' G' . . . . . 0.827 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.359 -7.859 2 C5'-C4'-O4' 150.959 29.828 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 019 nuclear orig full ' B' B ' 211' ' ' ' A' . . . . . 0.564 ' C2 ' ' HB2' ' A' ' 25' ' ' ALA . . . . . . . . 1 O4'--C4' 1.401 -4.315 2 C5'-C4'-O4' 141.321 22.944 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 019 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . 0.504 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.394 -4.942 3 C1'-O4'-C4' 117.682 8.98 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.605 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.248 -17.071 2 C1'-O4'-C4' 119.97 11.522 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 019 nuclear orig full ' B' B ' 214' ' ' ' C' . . . . . 0.605 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.402 -4.22 3 C1'-O4'-C4' 117.777 9.086 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' B' B ' 215' ' ' ' U' . . . . . 0.585 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.14 -26.11 2 C1'-O4'-C4' 122.297 14.108 . 0.072 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' B' B ' 216' ' ' ' A' . . . . . 0.451 ' C6 ' ' C6 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.271 -15.149 2 C1'-O4'-C4' 115.981 7.09 . 0.316 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.574 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.387 -5.464 3 C5'-C4'-O4' 124.942 11.244 . 0.058 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' B' B ' 218' ' ' ' U' . . . . . 0.574 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.344 -9.117 3 C1'-O4'-C4' 117.294 8.549 . 0.043 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.563 " H2'" ' C5 ' ' B' ' 220' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.343 -9.203 3 C1'-O4'-C4' 118.808 10.231 . 0.116 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' B' B ' 220' ' ' ' C' . . . . . 0.563 ' C5 ' " H2'" ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.327 -10.531 3 C5'-C4'-O4' 149.936 29.097 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.513 0.197 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -59.27 -177.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.332 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.44 60.25 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.87 -24.29 57.59 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.433 1.083 . . . . 0.0 110.998 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -57.12 -20.79 27.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 0.787 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.466 ' CD1' ' C ' ' A' ' 6' ' ' PHE . 1.4 t80 -60.52 -15.49 27.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -13.32 12.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.43 1.081 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.467 ' ND2' HG12 ' A' ' 13' ' ' VAL . 13.4 p-10 -55.69 -19.2 9.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.347 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -59.54 -13.91 11.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.417 ' NH2' " H3'" ' B' ' 206' ' ' ' A' . 17.0 ptt180 -63.39 -11.75 25.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.414 1.071 . . . . 0.0 110.32 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' THR . 11.7 ttpp -122.92 39.24 4.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.528 ' CG2' ' O ' ' A' ' 12' ' ' THR . 3.4 t 36.78 48.92 0.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.467 HG12 ' ND2' ' A' ' 8' ' ' ASN . 10.2 m -37.66 154.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.537 1.148 . . . . 0.0 109.22 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.57 ' HE2' ' CZ3' ' A' ' 37' ' ' TRP . 0.8 OUTLIER -104.65 135.57 45.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.2 t -74.88 115.32 14.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 108.291 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.601 ' CD1' " O4'" ' B' ' 210' ' ' ' G' . 12.9 m-85 -79.91 10.49 4.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.597 1.186 . . . . 0.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -103.89 -50.33 3.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -103.94 -42.86 5.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 108.322 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.8 29.87 4.49 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.96 139.17 50.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 0.743 . . . . 0.0 109.262 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 14' ' ' LYS . 0.7 OUTLIER -84.6 140.82 31.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.69 2.91 8.66 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -175.97 158.66 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.766 . . . . 0.0 109.606 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.504 ' HB ' ' C6 ' ' B' ' 212' ' ' ' G' . 8.4 pt -109.69 158.03 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.564 ' HB2' ' C2 ' ' B' ' 211' ' ' ' A' . . . -48.34 -37.33 16.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.403 ' HB2' ' CD1' ' A' ' 24' ' ' ILE . 3.8 mmmt -59.08 -45.94 89.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.386 1.054 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -93.95 9.36 37.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 109.309 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.475 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 48.7 t -81.39 130.5 35.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 108.29 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -68.27 -32.09 72.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.34 154.09 44.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.383 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 155.73 42.93 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.485 1.781 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.19 105.55 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.248 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.9 -177.13 4.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -150.71 55.01 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.468 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -99.68 127.93 9.41 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.436 1.085 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.415 ' C ' ' H ' ' A' ' 38' ' ' LYS . 35.3 t -62.51 118.77 8.01 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.827 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -85.32 35.48 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.415 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -129.69 -48.35 1.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.542 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.6 p -109.92 -31.86 7.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 108.263 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.02 22.38 20.44 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.545 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.9 OUTLIER -96.28 125.9 41.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.339 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.468 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.4 OUTLIER -86.35 121.56 29.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.251 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 139.48 -47.75 0.89 Allowed Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.545 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 14.6 p-80 -103.03 -177.84 3.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 0.8 . . . . 0.0 109.577 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.575 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 2.5 pt20 -133.54 158.8 42.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.248 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.4 ttt -50.68 -42.8 57.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.13 -37.6 69.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.18 34.29 5.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.529 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 33.8 t -52.47 112.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 108.318 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.0 t -78.0 1.69 20.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.425 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -149.55 68.88 1.03 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -43.89 135.21 4.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.346 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 178.95 142.49 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -119.6 -61.54 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.411 1.069 . . . . 0.0 109.371 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.396 -4.762 3 C1'-O4'-C4' 117.499 8.776 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.384 -5.766 2 C1'-O4'-C4' 118.067 9.408 . 0.43 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' B' B ' 203' ' ' ' A' . . . . . 0.616 " H2'" ' C6 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.345 -8.965 2 C1'-O4'-C4' 118.597 9.996 . 0.653 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' B' B ' 204' ' ' ' C' . . . . . 0.616 ' C6 ' " H2'" ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.322 -10.89 3 C1'-O4'-C4' 119.114 10.571 . 0.853 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' B' B ' 205' ' ' ' U' . . . . . 0.571 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.401 -4.35 2 O4'-C4'-C3' 93.528 -8.551 . 0.17 7a . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' B' B ' 206' ' ' ' A' . . . . . 0.503 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.248 -17.09 3 C5'-C4'-O4' 126.299 12.213 . 0.079 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' B' B ' 207' ' ' ' G' . . . . . 0.564 " H2'" ' C6 ' ' B' ' 208' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.339 -9.51 3 C5'-C4'-O4' 129.315 14.368 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' B' B ' 208' ' ' ' C' . . . . . 0.564 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.12 -27.752 2 C1'-O4'-C4' 122.771 14.634 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.114 3 C5'-C4'-O4' 143.032 24.166 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' B' B ' 210' ' ' ' G' . . . . . 0.818 ' C5 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.229 -18.633 2 C5'-C4'-O4' 141.767 23.262 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 020 nuclear orig full ' B' B ' 211' ' ' ' A' . . . . . 0.575 ' C2 ' ' HB2' ' A' ' 25' ' ' ALA . . . . . . . . 0 O4'--C4' 1.405 -3.998 2 C5'-C4'-O4' 141.563 23.116 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . 0.618 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.137 -26.353 2 C1'-O4'-C4' 120.151 11.723 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 020 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.643 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.263 -15.829 2 C5'-C4'-O4' 137.3 20.071 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' B' B ' 214' ' ' ' C' . . . . . 0.643 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.404 -4.125 3 C5'-C4'-O4' 126.813 12.581 . 0.029 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' B' B ' 215' ' ' ' U' . . . . . 0.605 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.201 -21.012 2 C5'-C4'-O4' 144.413 25.152 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 020 nuclear orig full ' B' B ' 216' ' ' ' A' . . . . . 0.511 ' C6 ' ' C6 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.233 -18.371 2 C1'-O4'-C4' 119.894 11.438 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.576 ' C5 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.357 -7.98 3 C5'-C4'-O4' 130.425 15.161 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 020 nuclear orig full ' B' B ' 218' ' ' ' U' . . . . . 0.576 ' C4 ' ' C5 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.303 -12.46 3 C1'-O4'-C4' 119.267 10.741 . 0.063 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.571 ' C6 ' " H2'" ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.28 -14.419 2 C1'-O4'-C4' 119.601 11.112 . 0.041 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.402 3 C1'-O4'-C4' 116.911 8.123 . 0.31 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mtt . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.585 0.231 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 75.43 154.07 0.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 110.35 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 68.67 56.47 0.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.4 ' CA ' ' OP2' ' B' ' 203' ' ' ' A' . . . -61.0 -29.13 70.07 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.46 1.1 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -57.97 -19.66 32.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -60.25 -14.65 18.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 33.3 ptt-85 -60.91 -11.42 7.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.48 ' ND2' HG12 ' A' ' 13' ' ' VAL . 19.8 p-10 -56.3 -22.81 32.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -60.87 -11.47 7.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.432 ' CZ ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -71.54 -3.99 24.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.477 ' O ' ' CG ' ' A' ' 11' ' ' LYS . 4.0 tttt -126.66 40.97 3.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.547 ' CG2' ' O ' ' A' ' 12' ' ' THR . 2.6 t 35.5 47.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.561 1.163 . . . . 0.0 110.41 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.48 HG12 ' ND2' ' A' ' 8' ' ' ASN . 8.8 m -38.76 154.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' NZ ' ' OP2' ' B' ' 210' ' ' ' G' . 5.3 ptpp? -107.39 138.92 42.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.402 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 42.4 t -77.1 112.66 13.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 108.309 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.476 ' CD2' ' C6 ' ' B' ' 212' ' ' ' G' . 7.8 m-85 -76.74 7.57 4.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.424 ' ND2' ' HB2' ' A' ' 30' ' ' ALA . 45.9 t30 -100.82 -58.43 1.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.428 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 25.0 p -94.68 -42.75 8.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.41 1.069 . . . . 0.0 108.293 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 106.22 27.86 5.44 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.58 140.21 46.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 0.782 . . . . 0.0 109.34 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 14' ' ' LYS . 1.0 OUTLIER -84.81 141.79 30.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.86 -11.35 7.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.583 1.177 . . . . 0.0 111.047 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 -164.73 156.43 15.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 0.0 109.58 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.618 ' HB ' ' C6 ' ' B' ' 212' ' ' ' G' . 20.4 pt -106.17 160.42 5.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.575 ' HB2' ' C2 ' ' B' ' 211' ' ' ' A' . . . -48.07 -35.7 11.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.176 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -59.97 -46.91 87.91 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -94.01 14.24 20.39 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.437 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 43.4 t -85.59 135.66 33.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.569 1.168 . . . . 0.0 108.31 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.82 -31.62 57.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.578 1.174 . . . . 0.0 110.26 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.424 ' HB2' ' ND2' ' A' ' 17' ' ' ASN . . . -58.64 155.09 31.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.108 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 154.68 42.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.474 1.776 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.82 101.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.355 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -124.14 179.35 4.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.419 1.074 . . . . 0.0 109.362 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -145.34 51.77 1.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -95.9 124.76 8.15 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.552 1.157 . . . . 0.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.407 ' C ' ' H ' ' A' ' 38' ' ' LYS . 44.1 t -62.15 119.24 8.57 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.818 ' CZ2' ' C5 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -86.32 32.91 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 108.014 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.407 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -127.57 -47.29 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.237 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.542 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.5 p -109.24 -32.13 7.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 108.266 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.53 22.49 21.48 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.453 1.096 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.508 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -96.18 128.64 43.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.543 0.79 . . . . 0.0 109.343 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.442 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 1.7 pt-20 -88.83 117.21 27.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.589 1.181 . . . . 0.0 110.357 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.56 -50.32 0.66 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.463 1.102 . . . . 0.0 110.967 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.542 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 21.4 p-80 -100.66 -176.69 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 0.735 . . . . 0.0 109.647 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.578 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 3.1 pt20 -135.34 158.49 44.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.242 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.4 tmm? -52.11 -41.18 62.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.68 -33.38 60.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.382 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -124.86 39.86 3.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.469 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 33.7 t -56.56 112.0 1.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 108.354 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.0 t -74.43 -1.76 22.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.526 1.142 . . . . 0.0 110.44 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -144.28 58.33 1.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.411 1.069 . . . . 0.0 110.33 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -39.56 -56.85 1.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 110.35 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -161.76 158.54 25.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.92 105.3 0.18 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.135 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.324 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.396 -4.712 3 C5'-C4'-O4' 139.362 21.544 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 021 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.387 -5.532 2 C1'-O4'-C4' 118.012 9.347 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 2 . 1 . 021 nuclear orig full ' B' B ' 203' ' ' ' A' . . . . . 0.614 " H2'" ' C6 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.351 -8.463 2 C1'-O4'-C4' 118.619 10.022 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 021 nuclear orig full ' B' B ' 204' ' ' ' C' . . . . . 0.614 ' C6 ' " H2'" ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.182 -22.574 2 C1'-O4'-C4' 121.506 13.229 . 0.615 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 021 nuclear orig full ' B' B ' 205' ' ' ' U' . . . . . 0.56 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.256 -16.375 2 C5'-C4'-O4' 136.776 19.697 OUTLIER-DELTA 0.066 1L . 0.0 . . . . . . . . . . 4 3 . 1 . 021 nuclear orig full ' B' B ' 206' ' ' ' A' . . . . . 0.543 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.264 -15.773 3 C5'-C4'-O4' 124.421 10.872 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 4 3 . 1 . 021 nuclear orig full ' B' B ' 207' ' ' ' G' . . . . . 0.573 " H2'" ' C6 ' ' B' ' 208' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.219 -19.536 2 C5'-C4'-O4' 133.369 17.263 OUTLIER-DELTA 0.025 1L . 0.0 . . . . . . . . . . 4 3 . 1 . 021 nuclear orig full ' B' B ' 208' ' ' ' C' . . . . . 0.573 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.097 -29.665 2 C5'-C4'-O4' 134.734 18.238 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 021 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.626 ' N2 ' ' C6 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.245 -17.359 2 C1'-O4'-C4' 120.054 11.616 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 4 3 . 1 . 021 nuclear orig full ' B' B ' 210' ' ' ' G' . . . . . 0.829 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.377 -6.368 2 C5'-C4'-O4' 151.31 30.079 OUTLIER-DELTA 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 5 4 . 1 . 021 nuclear orig full ' B' B ' 211' ' ' ' A' . . . . . 0.504 " H1'" ' C8 ' ' B' ' 212' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.401 -4.305 2 C5'-C4'-O4' 145.078 25.627 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 021 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . 0.543 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.126 -27.281 2 C1'-O4'-C4' 119.511 11.012 OUTLIER-DELTA 0.03 1e . 0.0 . . . . . . . . . . 4 3 . 1 . 021 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.626 ' C6 ' ' N2 ' ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.207 -20.488 2 C1'-O4'-C4' 120.004 11.56 . 0.233 9a . 0.0 . . . . . . . . . . 3 2 . 1 . 021 nuclear orig full ' B' B ' 214' ' ' ' C' . . . . . 0.617 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.34 -9.421 2 C5'-C4'-O4' 131.708 16.077 . 0.343 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 021 nuclear orig full ' B' B ' 215' ' ' ' U' . . . . . 0.595 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.17 -23.604 2 C5'-C4'-O4' 133.914 17.653 . 0.124 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 021 nuclear orig full ' B' B ' 216' ' ' ' A' . . . . . 0.422 ' C6 ' ' C6 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.286 -13.896 2 O4'-C4'-C3' 97.026 -6.053 . 0.228 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 021 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.573 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.399 -4.49 3 C5'-C4'-O4' 127.491 13.065 OUTLIER-DELTA 0.01 1a . 0.0 . . . . . . . . . . 4 3 . 1 . 021 nuclear orig full ' B' B ' 218' ' ' ' U' . . . . . 0.573 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.299 -12.839 3 C1'-O4'-C4' 117.173 8.414 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 021 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.504 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.372 -6.745 3 O4'-C4'-C3' 94.275 -8.018 . 0.151 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 021 nuclear orig full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.366 -7.278 3 C5'-C4'-O4' 93.166 -11.453 . 0.046 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.432 0.158 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -82.29 -174.64 5.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 110.336 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.91 55.54 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.416 1.073 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.72 -15.28 40.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.481 ' CB ' ' OP2' ' B' ' 213' ' ' ' G' . 3.0 t30 -57.41 -27.49 62.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 0.789 . . . . 0.0 109.291 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.49 ' CZ ' ' OD1' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -57.99 -14.76 7.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.376 1.047 . . . . 0.0 110.961 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.513 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -58.98 -10.35 2.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.476 ' HB2' ' CG1' ' A' ' 13' ' ' VAL . 32.0 p-10 -57.01 -37.52 71.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.448 ' N ' ' OD1' ' A' ' 8' ' ' ASN . 11.2 mt-30 -59.25 -10.23 2.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.33 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.513 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -57.34 -16.31 8.56 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -180.0 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.494 ' O ' ' HB ' ' A' ' 12' ' ' THR . 4.9 ttpp -110.27 -84.68 0.56 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.582 ' CG2' ' O ' ' A' ' 12' ' ' THR . 1.4 t 179.26 46.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.478 HG23 ' CG2' ' A' ' 24' ' ' ILE . 11.1 m -40.24 154.99 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.88 138.78 39.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.2 t -76.8 111.66 12.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 108.3 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.571 ' CE1' " H4'" ' B' ' 210' ' ' ' G' . 4.8 m-85 -75.3 4.16 7.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -96.47 -63.28 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.2 p -87.41 -42.92 12.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 108.279 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.424 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 107.53 29.49 4.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.429 1.081 . . . . 0.0 111.01 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -98.01 -173.43 2.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 0.76 . . . . 0.0 109.294 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -133.35 116.7 16.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 145.0 -32.96 1.65 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 27.5 p-80 -134.17 161.63 34.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 0.0 109.606 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.543 ' HB ' ' C6 ' ' B' ' 212' ' ' ' G' . 8.9 pt -109.22 161.08 7.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.456 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -49.62 -38.08 30.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -59.21 -43.75 92.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.49 ' OD1' ' CZ ' ' A' ' 6' ' ' PHE . 83.0 m-20 -95.43 10.01 37.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.363 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.456 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 44.9 t -83.87 128.98 34.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 108.305 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -69.8 -27.86 65.24 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.41 153.97 85.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 153.68 41.93 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.481 1.78 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.41 106.86 0.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.241 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -126.33 -176.47 3.67 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.493 1.12 . . . . 0.0 109.344 179.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.5 mtmm -147.55 53.16 1.05 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.155 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.431 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -99.41 129.18 9.81 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.417 ' C ' ' H ' ' A' ' 38' ' ' LYS . 23.2 t -63.65 118.02 7.66 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.829 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -84.58 37.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 108.006 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -130.42 -48.37 1.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.54 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.5 p -109.65 -31.84 7.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 108.327 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.46 22.66 18.46 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.565 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -96.1 130.33 43.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 0.734 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.431 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 13.8 pt-20 -89.77 123.19 33.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.19 -45.79 1.07 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 12.0 p-80 -104.94 174.76 5.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.585 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.593 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 2.1 pt20 -127.39 162.6 25.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.8 tmm? -50.57 -43.69 56.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -55.42 -36.78 66.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.63 30.85 7.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.521 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 33.5 t -50.23 112.17 0.64 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.43 1.081 . . . . 0.0 108.331 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.0 t -76.89 0.58 20.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 0.0 110.423 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -159.51 67.15 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.366 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -41.67 163.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.7 107.62 2.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -89.59 171.34 9.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 56.3 t30 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.225 -179.977 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.444 3 C5'-C4'-O4' 142.526 23.804 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 022 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . 0.516 " H2'" ' C8 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.324 -10.772 2 C1'-O4'-C4' 119.183 10.647 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 022 nuclear orig full ' B' B ' 203' ' ' ' A' . . . . . 0.682 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.36 -7.748 3 C1'-O4'-C4' 118.355 9.728 . 0.085 1m . 0.0 . . . . . . . . . . 3 2 . 1 . 022 nuclear orig full ' B' B ' 204' ' ' ' C' . . . . . 0.682 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.318 -11.288 3 C1'-O4'-C4' 119.24 10.711 . 0.374 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 022 nuclear orig full ' B' B ' 205' ' ' ' U' . . . . . 0.573 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.399 -4.498 3 O4'-C4'-C3' 93.185 -8.797 . 0.311 7a . 0.0 . . . . . . . . . . 3 2 . 1 . 022 nuclear orig full ' B' B ' 206' ' ' ' A' . . . . . 0.499 ' OP2' ' CZ ' ' A' ' 10' ' ' ARG . . . . . . . . 1 O4'--C4' 1.221 -19.298 2 C5'-C4'-O4' 132.88 16.914 OUTLIER-DELTA 0.072 1L . 0.0 . . . . . . . . . . 4 3 . 1 . 022 nuclear orig full ' B' B ' 207' ' ' ' G' . . . . . 0.498 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.265 -15.669 3 C5'-C4'-O4' 133.49 17.35 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 022 nuclear orig full ' B' B ' 208' ' ' ' C' . . . . . 0.525 " H2'" ' C8 ' ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.073 -31.661 2 C1'-O4'-C4' 123.579 15.532 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 022 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.525 ' C8 ' " H2'" ' B' ' 208' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.209 -20.316 2 C1'-O4'-C4' 119.821 11.356 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 022 nuclear orig full ' B' B ' 210' ' ' ' G' . . . . . 0.809 ' C5 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.341 -9.335 2 C5'-C4'-O4' 149.695 28.925 OUTLIER-DELTA 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 5 4 . 1 . 022 nuclear orig full ' B' B ' 211' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.037 2 C5'-C4'-O4' 142.741 23.958 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 022 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . 0.573 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.099 -29.498 2 C1'-O4'-C4' 121.338 13.042 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 022 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.643 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.197 -21.317 2 C5'-C4'-O4' 139.553 21.681 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 022 nuclear orig full ' B' B ' 214' ' ' ' C' . . . . . 0.643 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.366 -7.265 2 C5'-C4'-O4' 130.938 15.527 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 022 nuclear orig full ' B' B ' 215' ' ' ' U' . . . . . 0.602 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.083 -30.86 2 C5'-C4'-O4' 135.928 19.091 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 022 nuclear orig full ' B' B ' 216' ' ' ' A' . . . . . 0.702 ' C6 ' ' C6 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.308 -12.071 3 C5'-C4'-O4' 95.501 -9.785 . 0.239 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 022 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.702 ' C6 ' ' C6 ' ' B' ' 216' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.332 -10.074 3 C5'-C4'-O4' 128.36 13.686 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 022 nuclear orig full ' B' B ' 218' ' ' ' U' . . . . . 0.545 " H2'" ' C6 ' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.401 -4.306 3 O4'-C4'-C3' 93.395 -8.647 . 0.098 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 022 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.545 ' C6 ' " H2'" ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.314 -11.586 2 C5'-C4'-O4' 124.933 11.238 . 0.051 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 022 nuclear orig full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.425 2 C1'-O4'-C4' 117.857 9.174 . 0.161 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.569 0.224 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.68 43.2 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 110.288 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.448 ' NZ ' ' OP2' ' B' ' 213' ' ' ' G' . 11.3 mmtt 71.15 61.8 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.82 -14.83 24.74 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.639 1.212 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -55.31 -20.37 11.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 0.799 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.6 ' CE2' ' OD1' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -58.64 -14.27 7.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 111.048 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -11.65 4.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.481 ' ND2' HG12 ' A' ' 13' ' ' VAL . 20.6 p-10 -54.44 -19.38 5.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.377 1.048 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -63.34 -8.24 8.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.499 ' CZ ' ' OP2' ' B' ' 206' ' ' ' A' . 8.1 ptm180 -77.08 -4.26 43.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 12' ' ' THR . 19.8 ttpp -125.43 39.98 3.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.516 ' CG2' ' O ' ' A' ' 12' ' ' THR . 4.2 t 35.48 47.68 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.481 HG12 ' ND2' ' A' ' 8' ' ' ASN . 9.1 m -38.74 154.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.04 138.85 42.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.414 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 45.2 t -78.14 114.13 16.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 108.293 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.583 ' CE1' " H4'" ' B' ' 210' ' ' ' G' . 9.2 m-85 -79.12 9.57 4.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -103.66 -55.69 2.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.34 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.404 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 27.4 p -96.7 -41.88 8.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.421 1.076 . . . . 0.0 108.229 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.515 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 103.55 31.24 4.97 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 -179.931 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.94 140.14 48.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.736 . . . . 0.0 109.268 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -84.17 141.01 31.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.91 -25.96 4.87 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.439 1.087 . . . . 0.0 111.04 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.1 p-80 -149.71 157.67 43.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 0.736 . . . . 0.0 109.585 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.573 ' HB ' ' C6 ' ' B' ' 212' ' ' ' G' . 19.7 pt -105.48 161.75 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.461 ' O ' ' NH2' ' A' ' 32' ' ' ARG . . . -48.31 -35.74 12.92 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -60.68 -46.38 90.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.6 ' OD1' ' CE2' ' A' ' 6' ' ' PHE . 80.7 m-20 -90.73 13.26 16.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.368 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.428 ' HB2' ' HA ' ' A' ' 25' ' ' ALA . 35.0 t -87.14 135.21 33.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 108.354 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -80.71 -24.73 38.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.137 . . . . 0.0 110.289 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.9 156.36 73.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 155.06 43.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.518 1.799 . . . . 0.0 111.041 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.461 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 5.0 mmp_? -57.85 104.92 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -130.7 -176.24 3.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -145.23 52.41 1.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.599 1.187 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.466 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -91.18 123.13 7.0 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.417 ' C ' ' H ' ' A' ' 38' ' ' LYS . 9.4 t -60.16 119.49 7.95 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.809 ' CZ2' ' C5 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -83.62 40.43 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 107.97 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -133.91 -49.05 0.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 0.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.533 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 12.7 p -109.97 -32.41 7.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 108.259 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.3 22.53 16.73 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.503 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 2.9 ttpt -95.37 129.05 42.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.367 0.686 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.466 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.8 OUTLIER -88.04 116.55 26.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 0.0 110.329 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 145.43 -51.17 0.61 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.533 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 23.2 p-80 -100.0 176.73 5.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 0.738 . . . . 0.0 109.631 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.598 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 0.8 OUTLIER -129.03 164.09 23.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 110.258 -179.969 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.429 ' HB3' ' N7 ' ' B' ' 210' ' ' ' G' . 9.4 tpt -52.57 -40.68 62.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -52.99 -30.87 37.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -129.07 42.47 3.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.436 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 41.5 t -58.34 111.49 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 108.282 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 51' ' ' GLU . 8.8 t -77.21 -4.79 46.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.084 . . . . 0.0 110.443 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 50' ' ' THR . 14.3 pt-20 35.82 65.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -120.58 -51.05 2.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.092 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 57.09 69.07 0.78 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 0.0 110.328 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.69 146.94 31.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.246 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.6 p30 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.958 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.442 3 C5'-C4'-O4' 141.469 23.049 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.372 -6.748 2 C1'-O4'-C4' 118.303 9.67 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear orig full ' B' B ' 203' ' ' ' A' . . . . . 0.648 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.228 -18.725 1 C1'-O4'-C4' 120.628 12.253 . 0.284 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear orig full ' B' B ' 204' ' ' ' C' . . . . . 0.648 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.292 -13.394 2 C1'-O4'-C4' 118.946 10.384 . 0.033 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear orig full ' B' B ' 205' ' ' ' U' . . . . . 0.563 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.401 -4.331 3 O4'-C4'-C3' 92.998 -8.93 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 023 nuclear orig full ' B' B ' 206' ' ' ' A' . . . . . 0.64 ' C8 ' ' NH2' ' A' ' 10' ' ' ARG . . . . . . . . 1 O4'--C4' 1.164 -24.11 2 C5'-C4'-O4' 132.016 16.297 . 0.139 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear orig full ' B' B ' 207' ' ' ' G' . . . . . 0.563 " H2'" ' C6 ' ' B' ' 208' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.34 -9.382 3 C5'-C4'-O4' 125.141 11.386 . 0.074 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear orig full ' B' B ' 208' ' ' ' C' . . . . . 0.563 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.252 -16.718 3 C1'-O4'-C4' 119.004 10.449 . 0.02 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.551 ' N2 ' ' C6 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.299 -12.792 3 C1'-O4'-C4' 117.417 8.685 . 0.214 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear orig full ' B' B ' 210' ' ' ' G' . . . . . 0.821 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.382 -5.95 2 C5'-C4'-O4' 152.124 30.66 OUTLIER-DELTA 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 5 4 . 1 . 023 nuclear orig full ' B' B ' 211' ' ' ' A' . . . . . 0.585 ' C2 ' ' HB2' ' A' ' 25' ' ' ALA . . . . . . . . 0 O4'--C4' 1.411 -3.539 3 C5'-C4'-O4' 146.055 26.325 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 023 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . 0.563 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.175 -23.171 1 C1'-O4'-C4' 115.639 6.71 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 023 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.616 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.215 -19.832 2 C1'-O4'-C4' 119.157 10.619 . 0.158 9a . 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear orig full ' B' B ' 214' ' ' ' C' . . . . . 0.616 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.401 -4.294 3 C1'-O4'-C4' 117.765 9.072 . 0.562 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear orig full ' B' B ' 215' ' ' ' U' . . . . . 0.601 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.17 -23.595 2 C1'-O4'-C4' 121.773 13.525 . 0.128 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear orig full ' B' B ' 216' ' ' ' A' . . . . . 0.414 ' C6 ' ' C6 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.321 -11.027 3 O4'-C4'-C3' 95.645 -7.04 . 0.035 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.541 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.4 -4.434 3 C5'-C4'-O4' 129.507 14.505 OUTLIER-DELTA 0.01 1L . 0.0 . . . . . . . . . . 4 3 . 1 . 023 nuclear orig full ' B' B ' 218' ' ' ' U' . . . . . 0.541 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.308 -12.048 2 C1'-O4'-C4' 117.988 9.32 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.502 ' C6 ' " H2'" ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.364 -7.398 3 O4'-C4'-C3' 94.681 -7.728 . 0.364 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear orig full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.381 3 C1'-O4'-C4' 116.92 8.134 . 0.115 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.525 0.203 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -38.91 -49.48 1.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.228 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.3 tttt 77.32 64.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.41 -30.14 67.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.543 1.152 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.404 ' CB ' ' OP2' ' B' ' 213' ' ' ' G' . 4.0 t30 -60.7 -15.57 30.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.43 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 22.8 t80 -60.61 -16.58 39.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.039 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.473 ' HE ' ' NH1' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -61.05 -11.32 8.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.471 ' ND2' HG12 ' A' ' 13' ' ' VAL . 24.1 p-10 -56.96 -21.29 29.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -62.93 -10.12 12.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.348 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.64 ' NH2' ' C8 ' ' B' ' 206' ' ' ' A' . 12.9 ptt-85 -75.49 -2.35 28.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.259 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 12' ' ' THR . 11.4 tttp -128.73 38.78 3.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.486 ' CG2' ' O ' ' A' ' 12' ' ' THR . 5.5 t 35.77 48.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.471 HG12 ' ND2' ' A' ' 8' ' ' ASN . 8.7 m -37.57 154.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.91 143.47 36.48 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 44.3 t -80.87 115.91 20.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 108.215 -179.918 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.61 ' CE1' " H4'" ' B' ' 210' ' ' ' G' . 6.9 m-85 -81.75 13.07 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.433 ' ND2' ' HB2' ' A' ' 30' ' ' ALA . 46.0 t30 -107.91 -49.0 3.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 179.922 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.419 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 26.0 p -104.41 -40.8 5.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 108.288 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.536 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 102.9 29.61 5.77 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.543 1.152 . . . . 0.0 110.952 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HB2' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -108.71 139.89 42.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 0.0 109.235 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.65 132.81 34.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 136.94 -43.43 1.23 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.116 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.5 p-80 -130.02 159.74 35.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 0.751 . . . . 0.0 109.598 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.563 ' HB ' ' C6 ' ' B' ' 212' ' ' ' G' . 12.5 pt -107.37 157.97 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.229 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.585 ' HB2' ' C2 ' ' B' ' 211' ' ' ' A' . . . -48.73 -35.6 14.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.411 ' HB2' ' CD1' ' A' ' 24' ' ' ILE . 12.6 mmmt -59.3 -46.33 88.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -96.81 14.59 24.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.483 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 53.9 t -83.56 137.47 33.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 108.295 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.56 -35.08 60.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.433 ' HB2' ' ND2' ' A' ' 17' ' ' ASN . . . -55.18 156.0 8.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 149.67 36.9 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.525 1.802 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.72 105.22 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -143.96 -174.99 4.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.353 179.921 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -135.0 47.02 2.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.533 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -72.21 123.84 9.66 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.412 1.07 . . . . 0.0 110.967 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.469 ' C ' ' H ' ' A' ' 38' ' ' LYS . 15.9 t -61.64 124.04 19.57 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.821 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -81.66 36.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 108.019 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -134.73 -50.32 0.78 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.552 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 9.7 p -111.55 -31.83 6.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 108.279 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.67 18.73 24.62 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.548 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -91.38 120.31 32.13 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 179.937 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.533 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -81.27 111.25 17.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 152.51 -54.69 0.45 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.552 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 19.6 p-80 -94.9 -178.59 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 0.734 . . . . 0.0 109.608 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.552 ' HG2' ' C4 ' ' B' ' 210' ' ' ' G' . 51.9 mt-30 -125.77 154.08 43.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 110.255 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.4 tmm? -49.92 -41.14 45.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -39.69 80.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.1 29.89 7.24 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.502 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.4 t -43.87 113.16 0.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 108.285 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.2 t -85.77 4.89 34.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.383 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -143.84 74.78 1.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.95 153.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.257 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.433 ' HB2' ' CE ' ' A' ' 38' ' ' LYS . 0.6 OUTLIER -118.79 177.69 4.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 0.0 110.378 179.895 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 60.86 77.06 0.34 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.997 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.401 3 C5'-C4'-O4' 141.953 23.395 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.366 -7.263 2 C1'-O4'-C4' 118.363 9.737 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear orig full ' B' B ' 203' ' ' ' A' . . . . . 0.623 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.372 -6.728 3 C1'-O4'-C4' 118.068 9.409 . 0.151 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear orig full ' B' B ' 204' ' ' ' C' . . . . . 0.623 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.201 -20.963 2 C1'-O4'-C4' 121.15 12.833 . 0.233 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear orig full ' B' B ' 205' ' ' ' U' . . . . . 0.572 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.339 -9.463 2 C1'-O4'-C4' 116.475 7.638 . 0.27 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear orig full ' B' B ' 206' ' ' ' A' . . . . . 0.548 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.304 -12.409 3 C5'-C4'-O4' 124.422 10.873 . 0.292 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear orig full ' B' B ' 207' ' ' ' G' . . . . . 0.582 " H2'" ' C6 ' ' B' ' 208' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.289 -13.666 3 C5'-C4'-O4' 123.313 10.081 . 0.041 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear orig full ' B' B ' 208' ' ' ' C' . . . . . 0.582 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.333 -9.998 3 C1'-O4'-C4' 116.666 7.851 . 0.144 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.63 ' N2 ' ' C6 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.382 -5.905 2 C5'-C4'-O4' 141.883 23.345 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 024 nuclear orig full ' B' B ' 210' ' ' ' G' . . . . . 0.809 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.137 -26.346 2 C5'-C4'-O4' 128.565 13.832 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 024 nuclear orig full ' B' B ' 211' ' ' ' A' . . . . . 0.551 " H1'" ' C8 ' ' B' ' 212' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.405 -3.975 2 C5'-C4'-O4' 144.54 25.243 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 024 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . 0.565 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.075 -31.515 1 C1'-O4'-C4' 123.494 15.437 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 024 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.63 ' C6 ' ' N2 ' ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.248 -17.124 2 C5'-C4'-O4' 124.508 10.934 . 0.01 0a . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear orig full ' B' B ' 214' ' ' ' C' . . . . . 0.616 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.403 -4.132 2 C1'-O4'-C4' 117.594 8.882 . 0.824 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear orig full ' B' B ' 215' ' ' ' U' . . . . . 0.604 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.18 -22.756 1 C1'-O4'-C4' 119.182 10.646 . 0.339 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear orig full ' B' B ' 216' ' ' ' A' . . . . . 0.526 " H2'" ' C8 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.386 -5.544 1 O4'-C4'-C3' 92.922 -8.984 . 0.092 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.574 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.4 -4.446 3 O4'-C4'-C3' 93.064 -8.883 . 0.011 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear orig full ' B' B ' 218' ' ' ' U' . . . . . 0.574 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.312 -11.779 3 C1'-O4'-C4' 117.261 8.512 . 0.29 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.549 ' C6 ' " H2'" ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.395 -4.822 2 C1'-O4'-C4' 117.882 9.202 . 0.807 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear orig full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.395 -4.851 2 C1'-O4'-C4' 117.955 9.283 . 0.05 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 tpt . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.441 0.162 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.31 -26.99 43.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp 66.98 54.74 0.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.224 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.61 -24.66 57.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.447 1.092 . . . . 0.0 111.009 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -60.47 -15.58 28.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 0.781 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -59.95 -16.52 30.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 0.0 110.988 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.415 ' O ' ' HB3' ' A' ' 10' ' ' ARG . 1.5 ptm180 -60.58 -12.06 8.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.465 ' HB2' ' CG1' ' A' ' 13' ' ' VAL . 15.7 p-10 -56.88 -33.96 67.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.455 ' OE1' ' CE2' ' A' ' 6' ' ' PHE . 35.0 mt-30 -59.12 -11.38 3.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.248 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.442 ' CZ ' ' OP2' ' B' ' 206' ' ' ' A' . 0.0 OUTLIER -54.86 -18.34 4.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.931 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.466 ' O ' ' HB ' ' A' ' 12' ' ' THR . 15.3 ttpp -107.2 -84.52 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.595 ' CG2' ' O ' ' A' ' 12' ' ' THR . 1.3 t -179.93 45.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.465 ' CG1' ' HB2' ' A' ' 8' ' ' ASN . 13.4 m -42.23 154.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.79 144.33 33.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 23' ' ' HIS . 42.6 t -84.17 111.32 19.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 108.297 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.498 ' CD1' " O4'" ' B' ' 210' ' ' ' G' . 11.0 m-85 -77.48 6.76 6.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -98.98 -54.29 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.24 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.44 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 26.3 p -99.05 -45.06 6.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 108.313 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.97 29.9 3.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -111.3 141.62 44.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -86.69 139.12 31.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.16 -29.97 3.59 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.456 1.098 . . . . 0.0 111.002 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.406 ' O ' ' HB2' ' A' ' 15' ' ' CYS . 22.6 p-80 -145.21 158.53 43.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 0.78 . . . . 0.0 109.629 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.565 ' HB ' ' C6 ' ' B' ' 212' ' ' ' G' . 12.5 pt -107.05 161.87 5.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.42 1.075 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.437 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -48.5 -35.67 13.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.464 ' HB2' ' CD1' ' A' ' 24' ' ' ILE . 0.5 OUTLIER -59.72 -46.3 89.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -95.44 16.0 18.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.437 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 42.2 t -87.43 137.51 32.28 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.447 1.092 . . . . 0.0 108.324 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.59 -32.75 58.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.45 156.82 20.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 151.04 39.03 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.43 ' NH2' ' HB2' ' A' ' 25' ' ' ALA . 9.6 mmp_? -57.0 103.22 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.342 179.924 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -134.81 -175.41 3.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.607 1.192 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.42 51.68 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.205 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.489 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -87.38 121.46 5.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.476 1.11 . . . . 0.0 111.05 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.42 ' C ' ' H ' ' A' ' 38' ' ' LYS . 18.1 t -58.67 120.45 8.95 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.809 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -84.61 38.04 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.42 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.9 OUTLIER -132.65 -49.59 0.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.531 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.6 p -109.72 -31.28 7.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 108.227 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.07 21.48 22.86 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.469 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -96.12 126.54 41.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 0.786 . . . . 0.0 109.323 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.489 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 12.9 pt-20 -85.98 123.65 31.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 139.16 -47.95 0.89 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.531 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 18.7 p-80 -103.15 177.59 4.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.566 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.566 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 1.2 pt20 -126.67 161.3 28.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.9 ttp -50.8 -40.98 56.79 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.574 1.171 . . . . 0.0 110.998 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -56.83 -38.15 72.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.381 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.47 33.36 5.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.368 179.897 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.5 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.1 t -50.64 112.01 0.63 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.079 . . . . 0.0 108.311 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.8 p -78.24 2.13 19.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 110.374 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -122.74 -96.75 0.46 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.429 1.08 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.32 102.32 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.589 1.18 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.53 148.49 2.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.393 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.65 147.66 25.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.1 p30 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.288 179.979 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.348 -8.764 3 C1'-O4'-C4' 118.685 10.094 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 025 nuclear orig full ' B' B ' 202' ' ' ' G' . . . . . 0.4 " O3'" ' OE1' ' A' ' 2' ' ' GLN . . . . . . . . 1 O4'--C4' 1.362 -7.61 2 C1'-O4'-C4' 118.407 9.786 . 0.525 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 025 nuclear orig full ' B' B ' 203' ' ' ' A' . . . . . 0.623 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.313 -11.708 3 C1'-O4'-C4' 118.884 10.316 . 0.18 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 025 nuclear orig full ' B' B ' 204' ' ' ' C' . . . . . 0.623 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.356 -8.064 2 C1'-O4'-C4' 117.941 9.267 . 0.351 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 025 nuclear orig full ' B' B ' 205' ' ' ' U' . . . . . 0.58 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.329 -10.358 2 C1'-O4'-C4' 118.6 10.001 . 0.259 7a . 0.0 . . . . . . . . . . 3 2 . 1 . 025 nuclear orig full ' B' B ' 206' ' ' ' A' . . . . . 0.54 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.2 -21.087 2 C5'-C4'-O4' 128.148 13.534 . 0.124 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 025 nuclear orig full ' B' B ' 207' ' ' ' G' . . . . . 0.573 " H2'" ' C6 ' ' B' ' 208' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.28 -14.452 3 C5'-C4'-O4' 129.545 14.532 . 0.015 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 025 nuclear orig full ' B' B ' 208' ' ' ' C' . . . . . 0.573 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.315 -11.53 3 C1'-O4'-C4' 117.905 9.227 . 0.01 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 025 nuclear orig full ' B' B ' 209' ' ' ' G' . . . . . 0.48 ' N2 ' ' C6 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.402 -4.287 2 C5'-C4'-O4' 141.947 23.391 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 025 nuclear orig full ' B' B ' 210' ' ' ' G' . . . . . 0.818 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.174 -23.24 2 C5'-C4'-O4' 133.8 17.572 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 025 nuclear orig full ' B' B ' 211' ' ' ' A' . . . . . 0.449 ' C6 ' ' CB ' ' A' ' 25' ' ' ALA . . . . . . . . 0 O4'--C4' 1.408 -3.769 2 C5'-C4'-O4' 140.681 22.486 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 025 nuclear orig full ' B' B ' 212' ' ' ' G' . . . . . 0.59 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.085 -30.655 1 C1'-O4'-C4' 122.326 14.14 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 025 nuclear orig full ' B' B ' 213' ' ' ' G' . . . . . 0.643 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.297 -12.967 2 C1'-O4'-C4' 117.81 9.122 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 025 nuclear orig full ' B' B ' 214' ' ' ' C' . . . . . 0.643 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.352 -8.423 2 C1'-O4'-C4' 118.615 10.016 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 025 nuclear orig full ' B' B ' 215' ' ' ' U' . . . . . 0.618 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.144 -25.735 1 C1'-O4'-C4' 120.498 12.109 . 0.298 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 025 nuclear orig full ' B' B ' 216' ' ' ' A' . . . . . 0.5 ' C6 ' ' C6 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.356 -8.078 2 O4'-C4'-C3' 94.252 -8.034 . 0.155 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 025 nuclear orig full ' B' B ' 217' ' ' ' G' . . . . . 0.568 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.402 -4.253 3 C5'-C4'-O4' 122.979 9.842 . 0.068 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 025 nuclear orig full ' B' B ' 218' ' ' ' U' . . . . . 0.568 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.32 -11.095 3 C5'-C4'-O4' 127.249 12.892 . 0.063 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 025 nuclear orig full ' B' B ' 219' ' ' ' C' . . . . . 0.506 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.376 -6.432 2 C1'-O4'-C4' 118.198 9.554 . 0.269 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 025 nuclear orig full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.399 -4.537 2 C1'-O4'-C4' 117.857 9.175 . 0.11 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.448 0.166 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.4 ' OE1' " O3'" ' B' ' 202' ' ' ' G' . 33.2 mt-30 -77.06 -66.7 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 77.32 64.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.352 -179.913 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.481 ' O ' ' CZ ' ' A' ' 7' ' ' ARG . . . -58.55 -29.58 64.04 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -59.64 -17.52 34.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 109.293 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -60.85 -15.83 34.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.481 ' CZ ' ' O ' ' A' ' 4' ' ' GLY . 16.0 mtm105 -59.41 -14.73 13.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.466 ' ND2' HG12 ' A' ' 13' ' ' VAL . 15.2 p-10 -55.78 -18.87 9.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 109.323 179.926 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -61.03 -12.06 10.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.229 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.458 ' NE ' ' OP2' ' B' ' 206' ' ' ' A' . 6.5 ptm180 -67.57 -8.23 32.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 12' ' ' THR . 6.7 ttpt -126.1 39.27 3.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.413 1.07 . . . . 0.0 109.328 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 12' ' ' THR . 4.8 t 36.33 49.1 0.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.385 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.466 HG12 ' ND2' ' A' ' 8' ' ' ASN . 7.8 m -37.32 154.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.67 136.62 47.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 44.7 t -75.06 109.37 8.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 108.285 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.589 ' CD1' " O4'" ' B' ' 210' ' ' ' G' . 11.6 m-85 -73.56 4.17 5.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -95.33 -64.48 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.489 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 27.0 p -89.54 -42.99 11.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 108.305 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 107.57 28.63 4.75 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.127 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.72 138.35 47.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.73 138.23 32.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.1 -1.99 8.38 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 22.9 p-80 -170.36 157.72 6.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 0.779 . . . . 0.0 109.601 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.59 ' HB ' ' C6 ' ' B' ' 212' ' ' ' G' . 13.8 pt -109.74 160.76 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.412 1.07 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.479 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -49.27 -36.85 21.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -59.33 -44.77 92.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -97.25 13.27 30.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.214 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.479 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 52.6 t -84.0 131.92 34.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 108.261 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -33.52 73.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.46 157.0 38.53 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 149.92 36.93 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.802 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.9 mmm-85 -56.36 109.81 0.67 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 110.352 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -140.97 -176.04 4.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 109.34 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -142.17 50.71 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.478 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -87.06 119.95 5.36 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.436 ' C ' ' H ' ' A' ' 38' ' ' LYS . 34.6 t -58.02 120.73 9.07 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.818 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -84.43 35.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.97 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.436 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -131.15 -49.05 1.01 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.24 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.557 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.4 p -110.24 -31.84 7.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 108.265 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.25 21.26 25.42 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.448 1.093 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.57 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -92.31 120.44 32.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 109.331 179.942 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.478 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -81.05 113.76 19.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 110.343 179.996 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.21 -52.33 0.54 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 17.0 p-80 -98.27 179.58 4.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 109.613 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.573 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 1.0 OUTLIER -128.24 161.31 29.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.9 tpt -52.36 -45.63 65.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -31.28 59.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -121.75 37.26 4.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.504 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 33.6 t -50.34 112.27 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 108.219 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 40.0 p -77.48 1.24 19.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.415 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -169.32 88.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.435 ' O ' ' CG ' ' A' ' 52' ' ' ARG . 5.5 ptt180 -73.35 106.57 5.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.107 . . . . 0.0 110.264 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 176.07 158.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.225 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 67.98 175.17 0.27 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 t30 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.997 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 t30 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -60.99 -15.46 31.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 111.074 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.6 ptt85 -61.72 -12.47 16.76 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.929 ' ND2' HG11 ' A' ' 13' ' ' VAL . 21.3 p-10 -57.19 -20.82 29.01 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.464 1.102 . . . . 0.0 109.346 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.468 ' HA ' HG22 ' A' ' 13' ' ' VAL . 5.2 mt-30 -60.94 -13.09 13.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.274 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.3 -5.05 29.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.172 . . . . 0.0 110.263 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 12' ' ' THR . 15.6 ttpp -126.24 38.06 4.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.258 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.774 ' O ' HG23 ' A' ' 12' ' ' THR . 3.3 t 35.99 48.17 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 110.423 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.929 HG11 ' ND2' ' A' ' 8' ' ' ASN . 8.9 m -37.99 154.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.24 138.37 40.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 42.4 t -76.64 112.68 13.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 108.285 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -76.0 4.28 8.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -97.03 -63.98 1.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.442 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 25.5 p -86.62 -41.34 14.33 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.533 1.146 . . . . 0.0 108.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.538 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 104.72 29.01 5.46 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.037 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.33 -173.39 2.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 0.787 . . . . 0.0 109.352 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -133.23 121.41 22.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.43 -10.23 3.78 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.6 p-80 -158.71 156.89 30.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 0.771 . . . . 0.0 109.546 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.78 HG21 HD21 ' A' ' 8' ' ' ASN . 18.8 pt -106.9 161.96 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.463 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -49.83 -35.74 24.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.414 ' HA ' ' NH2' ' A' ' 32' ' ' ARG . 5.5 mmmt -59.93 -44.43 94.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.423 1.077 . . . . 0.0 109.279 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -96.81 12.82 30.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.463 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 46.2 t -85.01 135.3 34.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 108.254 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.66 -32.31 62.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.322 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.88 153.99 50.93 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 152.83 41.55 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 111.043 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.414 ' NH2' ' HA ' ' A' ' 26' ' ' LYS . 2.5 mpt_? -55.06 106.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -134.54 -176.69 4.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -144.36 51.76 1.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.445 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -90.7 118.68 5.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.577 1.173 . . . . 0.0 111.057 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.432 ' C ' ' H ' ' A' ' 38' ' ' LYS . 11.5 t -55.74 120.4 7.24 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.553 ' CE3' ' HG3' ' A' ' 46' ' ' MET . 0.0 OUTLIER -83.7 39.46 0.68 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 0.0 107.999 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.445 ' CG ' ' SD ' ' A' ' 46' ' ' MET . 1.5 tmtm? -133.83 -49.14 0.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.556 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 12.6 p -109.64 -32.07 7.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 108.286 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.19 22.63 19.29 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.438 1.086 . . . . 0.0 111.063 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.528 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 9.2 tttt -94.44 128.35 40.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 0.751 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.445 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.4 OUTLIER -87.74 113.12 23.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.08 . . . . 0.0 110.268 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 149.61 -53.26 0.51 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.556 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 23.3 p-80 -96.97 179.83 4.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.58 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -129.46 164.57 23.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.553 ' HG3' ' CE3' ' A' ' 37' ' ' TRP . 0.1 OUTLIER -51.35 -46.03 62.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 111.022 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp -54.93 -33.32 62.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.82 34.01 5.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.457 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 36.6 t -57.58 110.89 0.96 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 0.0 108.296 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.434 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.9 t30 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -59.85 -14.21 14.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.421 ' HB3' ' NH2' ' A' ' 10' ' ' ARG . 85.7 mtm-85 -61.25 -11.92 11.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.925 ' ND2' HG11 ' A' ' 13' ' ' VAL . 25.9 p-10 -56.66 -19.94 18.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.427 ' HA ' HG22 ' A' ' 13' ' ' VAL . 22.4 mt-30 -61.6 -12.84 17.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.421 ' NH2' ' HB3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -65.69 -15.6 62.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 12' ' ' THR . 10.2 ttmm -117.05 35.14 4.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.764 ' O ' HG23 ' A' ' 12' ' ' THR . 4.5 t 36.69 49.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.405 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.925 HG11 ' ND2' ' A' ' 8' ' ' ASN . 9.1 m -37.17 154.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.37 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.11 140.85 37.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.352 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.407 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 42.0 t -75.74 115.79 15.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 108.371 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -79.36 9.49 4.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.958 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -103.11 -58.94 1.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.469 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 25.3 p -92.72 -38.41 11.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 108.309 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.459 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 102.45 27.6 6.75 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.55 1.156 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -94.31 -173.94 3.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 0.779 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -134.16 119.94 19.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.79 -8.62 4.23 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.5 p-80 -156.76 157.73 35.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 109.549 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.683 HG21 HD21 ' A' ' 8' ' ' ASN . 14.3 pt -108.43 158.65 8.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.472 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -49.09 -35.62 16.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.412 ' HB2' HD11 ' A' ' 24' ' ' ILE . 13.2 mmmt -59.56 -45.7 91.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -94.76 11.22 32.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.472 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 48.2 t -83.49 129.58 34.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 108.334 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -71.86 -30.33 65.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 110.379 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.44 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . . . -57.61 159.25 9.76 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 144.31 29.9 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.622 1.854 . . . . 0.0 110.946 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.5 mmm-85 -57.03 108.32 0.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.17 . . . . 0.0 110.301 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -141.83 -175.12 4.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -138.76 48.94 1.89 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.514 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -82.74 116.81 4.28 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.475 1.11 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.444 ' C ' ' H ' ' A' ' 38' ' ' LYS . 26.1 t -54.95 122.61 11.25 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.469 ' CD1' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -84.21 36.23 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -132.78 -49.42 0.89 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.155 . . . . 0.0 109.331 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.544 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.0 p -110.29 -30.9 7.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 108.28 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.59 22.41 24.05 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -99.02 119.37 37.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.514 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 13.0 pt-20 -79.73 121.99 26.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.37 -51.12 0.64 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.491 1.12 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.544 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 25.8 p-80 -99.39 -177.44 3.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 0.766 . . . . 0.0 109.642 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -126.79 154.76 43.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.1 ttp -50.56 -39.95 50.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.57 -39.63 77.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -111.5 32.08 5.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.447 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.6 t -45.31 111.8 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 108.33 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.7 p . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.343 -179.945 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.8 t30 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.725 ' CE1' ' ND2' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -58.58 -13.85 6.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 111.048 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -60.09 -10.15 4.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.933 ' ND2' HG11 ' A' ' 13' ' ' VAL . 22.2 p-10 -56.02 -24.4 38.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.359 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.568 ' HA ' HG22 ' A' ' 13' ' ' VAL . 32.7 mt-30 -59.24 -13.75 8.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.9 ptm85 -67.53 -8.71 36.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 11' ' ' LYS . 11.1 tttp -123.65 38.73 4.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.778 ' O ' HG23 ' A' ' 12' ' ' THR . 2.6 t 36.34 48.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.584 1.178 . . . . 0.0 110.389 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.933 HG11 ' ND2' ' A' ' 8' ' ' ASN . 6.4 m -37.63 154.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -102.64 140.23 37.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 42.5 t -80.81 109.69 15.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 1.176 . . . . 0.0 108.297 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -73.65 -0.58 15.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.953 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -91.08 -67.49 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.369 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -81.69 -44.27 17.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.404 1.065 . . . . 0.0 108.301 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.531 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 107.35 30.47 4.11 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.75 -172.55 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -132.4 129.57 39.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 110.326 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.0 -0.86 6.7 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.5 p-80 -168.54 156.36 8.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.418 0.717 . . . . 0.0 109.651 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.716 HG21 HD21 ' A' ' 8' ' ' ASN . 12.9 pt -107.17 165.03 4.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.601 1.188 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.43 ' O ' ' NH2' ' A' ' 32' ' ' ARG . . . -49.36 -35.41 18.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.17 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.475 ' HB2' HD11 ' A' ' 24' ' ' ILE . 6.5 mmtt -60.29 -45.45 93.32 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.725 ' ND2' ' CE1' ' A' ' 6' ' ' PHE . 20.4 m120 -92.77 11.95 25.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.407 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 40.8 t -86.96 132.73 33.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 108.378 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 -75.76 -26.07 57.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 110.288 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.03 152.9 90.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 157.28 42.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.529 1.805 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.43 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -54.74 106.22 0.2 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.32 177.08 7.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.52 51.89 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.477 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -94.85 128.57 9.56 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.457 ' C ' ' H ' ' A' ' 38' ' ' LYS . 18.6 t -59.98 120.36 9.52 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.531 ' CG ' ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -82.98 36.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.457 ' H ' ' C ' ' A' ' 36' ' ' CYS . 2.4 tmtp? -132.55 -49.58 0.91 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.563 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 9.1 p -110.28 -32.78 6.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 108.352 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.49 18.92 24.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.564 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -91.78 126.82 37.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.783 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.477 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 15.8 pt-20 -86.14 121.71 29.13 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.76 -47.59 0.91 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 11.5 p-80 -102.77 168.46 9.22 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.513 0.772 . . . . 0.0 109.556 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -116.64 160.43 20.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.264 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.6 ttm -51.72 -40.11 59.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -56.6 -37.98 71.4 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.549 1.156 . . . . 0.0 109.367 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -111.69 29.92 7.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.42 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 25.9 t -45.35 115.84 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 108.271 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 42.5 p . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.575 1.172 . . . . 0.0 110.42 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 t30 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -59.94 -14.71 17.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.488 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -59.62 -14.51 13.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.932 ' ND2' HG11 ' A' ' 13' ' ' VAL . 30.4 p-10 -57.72 -36.73 72.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.424 ' N ' ' OD1' ' A' ' 8' ' ' ASN . 65.6 mt-30 -59.21 -11.67 4.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.488 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 8.8 ptt85 -55.61 -17.39 5.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 110.198 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.468 ' O ' ' HB ' ' A' ' 12' ' ' THR . 12.1 ttpp -108.82 -85.84 0.52 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.805 ' O ' HG23 ' A' ' 12' ' ' THR . 1.2 t -179.85 45.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.377 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.932 HG11 ' ND2' ' A' ' 8' ' ' ASN . 11.2 m -40.15 154.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.39 143.46 32.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.401 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 43.8 t -83.29 111.81 19.32 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.536 1.147 . . . . 0.0 108.333 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.461 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 16.6 m-85 -75.76 3.11 10.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -94.96 -61.96 1.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 26.1 p -88.99 -43.86 10.83 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.503 1.127 . . . . 0.0 108.338 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.531 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 107.9 30.36 4.0 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.98 -174.52 2.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -132.91 118.28 18.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.4 -26.93 2.27 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.3 p-80 -140.32 158.54 43.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.572 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.756 HG21 HD21 ' A' ' 8' ' ' ASN . 15.4 pt -107.86 161.11 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.738 ' HB1' HH21 ' A' ' 32' ' ' ARG . . . -49.63 -36.62 25.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -59.59 -43.89 93.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -97.38 12.21 33.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.477 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 46.7 t -84.01 135.44 34.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.42 -32.55 60.76 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.57 1.169 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.01 156.48 13.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 109.326 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.12 154.12 41.71 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.494 1.786 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.738 HH21 ' HB1' ' A' ' 25' ' ' ALA . 7.9 mmp_? -56.67 104.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -136.91 -175.94 4.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.0 tttm -147.93 54.64 1.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.257 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.521 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -90.71 133.25 11.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.46 ' C ' ' H ' ' A' ' 38' ' ' LYS . 39.8 t -61.93 123.95 19.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.531 ' CG ' ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -83.77 32.5 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 108.07 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.46 ' H ' ' C ' ' A' ' 36' ' ' CYS . 1.3 tptt -131.61 -49.03 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.532 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 12.9 p -110.83 -33.29 6.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 108.272 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.39 22.13 17.72 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.486 1.117 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.524 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 1.2 tptt -94.75 123.41 38.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.521 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -82.57 121.19 26.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.36 -48.64 0.82 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.532 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 14.9 p-80 -102.54 169.32 8.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 109.619 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -116.98 156.23 27.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.422 ' HG3' ' N ' ' A' ' 47' ' ' LYS . 3.2 ppp? -50.99 -32.03 19.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.536 1.148 . . . . 0.0 111.047 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 46' ' ' MET . 0.0 OUTLIER -57.75 -42.12 83.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -110.83 27.81 9.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 32.5 t -43.27 111.93 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 108.309 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.0 p . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 110.395 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.3 t30 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.435 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 4.8 t80 -61.21 -16.84 49.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.417 ' HB2' ' NH1' ' A' ' 7' ' ' ARG . 8.2 mtm105 -60.69 -13.06 12.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.254 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.916 ' ND2' HG11 ' A' ' 13' ' ' VAL . 20.2 p-10 -56.41 -18.78 12.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.388 1.055 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.407 ' HA ' HG22 ' A' ' 13' ' ' VAL . 17.8 mt-30 -61.82 -11.9 14.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 ptm85 -78.06 1.84 19.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.263 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 12' ' ' THR . 9.5 ttpp -130.11 38.33 3.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.772 ' O ' HG23 ' A' ' 12' ' ' THR . 3.1 t 35.6 47.79 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.573 1.171 . . . . 0.0 110.451 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.916 HG11 ' ND2' ' A' ' 8' ' ' ASN . 10.7 m -40.07 154.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.23 137.44 45.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.587 1.18 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 23' ' ' HIS . 44.3 t -77.83 112.61 14.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 108.277 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.482 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 25.4 m-85 -76.85 6.47 6.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -99.43 -57.78 2.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 37' ' ' TRP . 28.3 p -94.96 -43.39 8.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 108.244 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.501 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 105.95 31.61 4.1 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.428 1.08 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -117.2 141.48 48.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 109.338 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.79 146.4 27.38 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.28 -27.45 5.81 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 110.951 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' A' ' 15' ' ' CYS . 21.1 p-80 -147.27 157.74 43.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 0.773 . . . . 0.0 109.59 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.835 HG21 HD21 ' A' ' 8' ' ' ASN . 15.8 pt -107.19 159.6 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.449 ' O ' ' NH2' ' A' ' 32' ' ' ARG . . . -46.58 -37.12 7.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -59.87 -47.84 84.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.249 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -91.41 12.07 21.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.414 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 48.4 t -83.59 137.07 33.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 108.283 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -29.69 39.43 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.436 1.085 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.08 155.7 42.83 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.234 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 157.14 43.15 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.507 1.793 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.449 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 6.4 mmp_? -57.38 105.91 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -134.44 -176.92 4.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -149.62 54.66 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.476 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -94.4 129.95 10.1 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.582 1.176 . . . . 0.0 111.015 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.443 ' C ' ' H ' ' A' ' 38' ' ' LYS . 42.0 t -61.08 120.46 10.33 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.501 ' CG ' ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -83.95 32.71 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.443 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -129.69 -48.49 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.252 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.553 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 9.3 p -110.06 -33.19 6.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.08 . . . . 0.0 108.266 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.7 19.69 24.07 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.531 1.144 . . . . 0.0 111.063 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.577 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 1.0 OUTLIER -92.89 126.12 37.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.76 . . . . 0.0 109.246 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.476 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 4.5 pt-20 -86.48 121.29 28.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.147 . . . . 0.0 110.366 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.96 -47.35 0.92 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.461 1.1 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.577 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 11.1 p-80 -102.9 176.34 5.18 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.423 0.719 . . . . 0.0 109.536 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' A' ' 49' ' ' CYS . 4.1 pt20 -127.2 156.2 42.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.438 1.086 . . . . 0.0 110.253 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.8 ttp -50.62 -42.69 56.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.6 ttpp -56.75 -37.59 71.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.103 . . . . 0.0 109.316 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.81 34.77 4.77 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.517 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 37.8 t -52.7 112.32 0.81 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.581 1.175 . . . . 0.0 108.286 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 0.0 110.417 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.5 t30 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.523 ' CE1' ' ND2' ' A' ' 27' ' ' ASN . 54.8 t80 -60.29 -15.58 26.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -60.22 -13.07 10.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.9 ' ND2' HG11 ' A' ' 13' ' ' VAL . 10.8 p-10 -56.16 -17.6 7.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.645 ' HA ' HG22 ' A' ' 13' ' ' VAL . 2.2 mt-30 -58.01 -15.32 8.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -61.0 -12.88 12.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 110.332 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.6 tttp -120.62 37.92 4.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.751 ' O ' HG23 ' A' ' 12' ' ' THR . 3.9 t 37.75 48.0 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.397 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.9 HG11 ' ND2' ' A' ' 8' ' ' ASN . 14.4 m -38.75 156.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.34 135.73 48.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.417 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 41.8 t -75.52 112.04 11.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 108.257 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.54 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 33.6 m-85 -76.92 6.66 5.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -98.1 -58.33 2.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.434 ' O ' ' HB3' ' A' ' 37' ' ' TRP . 28.2 p -95.9 -42.08 8.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.083 . . . . 0.0 108.292 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.505 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 106.28 29.76 4.69 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.94 139.3 48.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 0.783 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.33 139.7 30.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.335 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.77 9.31 8.39 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.411 1.069 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -176.3 159.4 2.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 0.793 . . . . 0.0 109.581 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.784 HG21 HD21 ' A' ' 8' ' ' ASN . 5.8 pt -112.39 157.67 13.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.461 ' O ' ' NH2' ' A' ' 32' ' ' ARG . . . -49.76 -37.88 31.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.56 ' HB2' HD11 ' A' ' 24' ' ' ILE . 15.2 mmmt -58.64 -44.0 89.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.523 ' ND2' ' CE1' ' A' ' 6' ' ' PHE . 5.6 m120 -91.94 2.52 56.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.376 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.454 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 49.4 t -77.08 131.55 38.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 108.317 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.38 -27.27 60.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 110.303 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.44 156.58 41.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 157.15 43.2 Favored 'Trans proline' 0 C--N 1.358 1.066 0 O-C-N 124.567 1.825 . . . . 0.0 111.015 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.461 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 7.2 mmp_? -59.06 104.58 0.25 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.99 -177.77 4.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.6 pttt -147.97 53.73 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.502 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -91.51 129.29 9.74 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.447 1.092 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.465 ' C ' ' H ' ' A' ' 38' ' ' LYS . 16.8 t -61.82 119.05 8.02 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.54 ' CZ2' ' HA ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -82.34 37.27 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 107.997 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -132.24 -49.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.349 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.533 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.9 p -110.61 -32.49 6.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 108.33 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.72 20.71 18.39 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.436 1.085 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 1.1 tmtp? -93.79 125.63 38.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 0.777 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.502 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 8.3 pt-20 -85.61 119.86 26.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.254 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.16 -48.77 0.8 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.616 ' CE1' HG22 ' A' ' 50' ' ' THR . 13.9 p-80 -101.7 172.88 6.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.764 . . . . 0.0 109.588 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -122.27 159.08 28.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 110.249 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.2 tmm? -50.19 -36.73 31.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.169 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -56.72 -41.68 77.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -112.4 29.96 7.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.496 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 37.8 t -42.42 112.36 0.34 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 108.334 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.616 HG22 ' CE1' ' A' ' 44' ' ' HIS . 12.4 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.419 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.4 t30 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -60.49 -15.83 30.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.485 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 7.8 ptm180 -59.68 -13.44 9.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.936 ' ND2' HG11 ' A' ' 13' ' ' VAL . 25.0 p-10 -57.46 -36.47 71.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.475 ' HG2' ' CG2' ' A' ' 13' ' ' VAL . 62.0 mt-30 -59.02 -11.13 3.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 110.346 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 9.2 ptt85 -56.45 -16.8 6.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.337 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.486 ' O ' ' HB ' ' A' ' 12' ' ' THR . 13.1 ttpp -109.08 -84.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.806 ' O ' HG23 ' A' ' 12' ' ' THR . 1.3 t 179.31 45.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.371 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.936 HG11 ' ND2' ' A' ' 8' ' ' ASN . 13.8 m -41.13 154.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.23 136.32 44.05 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.475 1.109 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.401 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 41.8 t -73.32 113.9 10.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 108.284 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -77.9 6.09 8.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -98.26 -58.83 1.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 26.3 p -92.57 -42.14 9.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.588 1.18 . . . . 0.0 108.289 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.77 29.46 4.66 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -99.72 -171.71 2.11 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 0.747 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -134.8 126.52 29.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.268 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.56 -1.28 6.45 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.477 1.11 . . . . 0.0 110.973 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -164.51 157.62 17.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 0.767 . . . . 0.0 109.626 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.768 HG21 HD21 ' A' ' 8' ' ' ASN . 12.6 pt -109.0 160.85 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.2 -37.55 16.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.405 ' HB2' HD11 ' A' ' 24' ' ' ILE . 8.0 mmmt -60.45 -45.51 93.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -93.41 13.92 20.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.1 t -85.64 133.41 34.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 108.253 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -31.22 63.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.261 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.35 158.62 36.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 149.84 37.31 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.422 1.748 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.3 mmm-85 -58.6 108.68 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.34 -175.51 3.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -145.87 52.41 1.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.441 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -95.97 125.59 8.47 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.588 1.18 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.426 ' C ' ' H ' ' A' ' 38' ' ' LYS . 29.4 t -61.67 118.84 7.62 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.12 36.51 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.426 ' H ' ' C ' ' A' ' 36' ' ' CYS . 4.3 tptt -130.63 -48.47 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.581 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 14.1 p -109.56 -31.53 7.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 108.301 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.38 22.87 20.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.117 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.34 126.84 42.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 0.764 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.441 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 12.9 pt-20 -86.9 124.07 32.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 110.317 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.57 -46.07 1.04 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.581 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 15.6 p80 -105.09 178.05 4.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 0.757 . . . . 0.0 109.631 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -129.81 158.89 38.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.244 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -51.64 -43.56 62.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -55.6 -34.46 64.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -120.05 37.29 4.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 35.3 t -56.94 111.6 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 108.264 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 110.396 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.3 t30 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.497 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 3.3 t80 -59.96 -15.4 21.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.402 ' O ' ' HB3' ' A' ' 10' ' ' ARG . 15.9 ptt180 -60.15 -13.54 12.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.939 ' ND2' HG11 ' A' ' 13' ' ' VAL . 26.6 p-10 -57.4 -34.8 69.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.414 ' HA ' HG22 ' A' ' 13' ' ' VAL . 29.9 mt-30 -58.78 -11.59 3.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.359 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.492 ' O ' ' CZ ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -54.29 -18.7 4.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 110.29 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.481 ' O ' ' HB ' ' A' ' 12' ' ' THR . 3.6 ttpt -107.98 -85.44 0.52 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.387 1.054 . . . . 0.0 109.326 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.82 ' O ' HG23 ' A' ' 12' ' ' THR . 1.3 t 179.57 45.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.939 HG11 ' ND2' ' A' ' 8' ' ' ASN . 9.9 m -39.6 154.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -105.61 139.1 40.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.413 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 42.0 t -77.9 110.01 12.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 108.296 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.461 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 10.1 m-85 -72.38 -1.02 13.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -91.0 -67.33 0.86 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.595 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 27.8 p -82.6 -45.4 14.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 108.327 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.54 32.13 3.26 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.19 -173.13 2.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 0.776 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -132.47 125.06 29.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.074 . . . . 0.0 110.346 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.11 -23.01 3.53 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -145.5 157.92 43.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.528 0.781 . . . . 0.0 109.606 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.74 HG21 HD21 ' A' ' 8' ' ' ASN . 10.1 pt -107.63 163.23 5.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.451 ' O ' ' NH2' ' A' ' 32' ' ' ARG . . . -46.62 -37.2 7.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.6 1.187 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.644 ' HG3' HD12 ' A' ' 24' ' ' ILE . 8.7 mtpt -59.58 -47.96 83.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -92.59 17.78 9.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.347 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.1 t -89.57 130.98 35.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 108.305 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.15 -29.0 65.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.78 154.12 92.46 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 153.21 41.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.451 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -54.68 108.62 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.275 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.11 -176.46 4.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.102 . . . . 0.0 109.268 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.4 51.18 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.374 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.454 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -89.54 119.99 5.65 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.424 ' C ' ' H ' ' A' ' 38' ' ' LYS . 14.5 t -57.53 120.95 9.18 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.595 ' CD1' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -84.41 38.63 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 107.991 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.446 ' HB2' ' CG ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -133.45 -49.33 0.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.557 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.5 p -109.26 -31.64 7.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 108.235 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.64 21.89 22.78 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.412 1.07 . . . . 0.0 111.041 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.508 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -94.38 127.93 40.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 0.783 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.454 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 1.6 pt-20 -87.47 115.1 24.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.79 -52.25 0.55 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.127 . . . . 0.0 111.033 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.557 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 23.1 p-80 -98.2 -177.35 3.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.743 . . . . 0.0 109.582 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.7 163.12 29.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.446 ' CG ' ' HB2' ' A' ' 38' ' ' LYS . 3.8 mtp -51.37 -45.75 62.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -54.98 -34.06 63.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -117.26 34.77 4.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.462 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 35.9 t -56.82 111.23 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 108.354 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.465 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 t30 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -59.44 -15.11 15.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 111.039 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.503 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 20.1 mtm105 -59.8 -12.3 7.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 110.275 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.93 ' ND2' HG11 ' A' ' 13' ' ' VAL . 30.6 p-10 -57.39 -36.35 71.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.239 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.418 ' N ' ' OD1' ' A' ' 8' ' ' ASN . 6.1 mt-30 -59.29 -9.97 2.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.503 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 13.4 ptt180 -57.75 -15.9 9.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.349 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.527 ' O ' ' HB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -110.87 -85.1 0.56 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.429 1.081 . . . . 0.0 109.29 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.778 ' O ' HG23 ' A' ' 12' ' ' THR . 1.9 t 179.04 46.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.441 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.93 HG11 ' ND2' ' A' ' 8' ' ' ASN . 10.1 m -40.44 154.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.407 ' HE3' ' CZ3' ' A' ' 37' ' ' TRP . 3.1 tttt -105.97 139.56 40.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.421 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 42.2 t -78.63 114.73 17.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 108.322 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.469 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 7.7 m-85 -81.01 10.91 4.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -104.6 -52.05 2.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.364 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -100.82 -40.67 7.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 108.331 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.441 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 103.53 28.87 5.85 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.438 1.086 . . . . 0.0 111.038 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -114.51 140.64 48.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 0.794 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -84.33 143.89 29.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.78 0.82 11.96 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.584 1.178 . . . . 0.0 111.028 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 22.9 p-80 -175.63 157.65 2.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 109.566 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.663 HG21 HD21 ' A' ' 8' ' ' ASN . 10.2 pt -108.97 160.7 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.439 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -48.99 -37.23 19.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.358 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.484 ' HB2' HD11 ' A' ' 24' ' ' ILE . 8.2 mmmt -59.73 -44.82 93.61 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -94.15 10.54 33.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.439 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 42.3 t -83.17 135.47 34.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 108.328 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.74 -31.38 59.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.88 155.6 30.69 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.49 42.39 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.537 1.809 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.96 106.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -131.31 -176.3 3.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.41 53.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -95.16 123.9 7.78 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.513 1.133 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.432 ' C ' ' H ' ' A' ' 38' ' ' LYS . 30.0 t -60.56 119.17 7.56 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.469 ' CZ2' ' HA ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -84.68 36.32 0.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 108.04 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.432 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -130.79 -48.94 1.04 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.544 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 12.2 p -109.09 -31.64 7.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 108.292 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.46 22.14 22.56 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.464 1.102 . . . . 0.0 111.044 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.538 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -94.32 126.97 39.91 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 0.753 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.43 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.37 114.79 24.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 146.95 -51.65 0.57 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.565 1.166 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.544 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 20.7 p-80 -98.99 -177.97 3.8 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 0.773 . . . . 0.0 109.532 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -133.9 159.45 40.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.593 1.183 . . . . 0.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.5 tpt -52.23 -40.72 62.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.07 -33.21 56.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -126.38 40.64 3.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.258 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.462 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 39.3 t -55.62 110.62 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.324 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.414 1.071 . . . . 0.0 110.368 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 t30 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.515 ' CZ ' ' OE1' ' A' ' 9' ' ' GLN . 2.2 t80 -59.56 -17.03 29.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.95 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.428 ' HB2' ' NH1' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -61.04 -12.14 10.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.935 ' ND2' HG11 ' A' ' 13' ' ' VAL . 20.1 p-10 -56.89 -22.57 38.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.53 ' HA ' HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -61.15 -11.24 8.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.427 ' O ' ' CZ ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -71.14 -5.03 28.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.283 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 12' ' ' THR . 21.5 tttp -126.24 40.01 3.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.316 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.761 ' O ' HG23 ' A' ' 12' ' ' THR . 3.7 t 36.08 48.39 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 110.414 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.935 HG11 ' ND2' ' A' ' 8' ' ' ASN . 10.9 m -38.34 155.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.464 1.102 . . . . 0.0 109.228 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.12 134.59 51.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.417 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 42.0 t -70.69 111.05 5.87 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.563 1.164 . . . . 0.0 108.256 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.462 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 11.1 m-85 -74.99 5.66 4.95 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -97.79 -62.41 1.25 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.401 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 26.9 p -91.39 -42.5 10.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 108.327 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 106.54 28.33 5.16 Favored Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.502 1.127 . . . . 0.0 111.006 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -109.76 136.61 48.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.433 0.725 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.24 139.04 33.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.386 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.69 9.36 8.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.459 1.099 . . . . 0.0 111.013 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.5 p-80 -176.44 159.48 1.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 0.791 . . . . 0.0 109.564 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.821 HG21 HD21 ' A' ' 8' ' ' ASN . 6.3 pt -113.33 158.3 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.498 ' HB1' HH21 ' A' ' 32' ' ' ARG . . . -49.27 -37.95 25.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.546 ' HB2' HD11 ' A' ' 24' ' ' ILE . 7.4 mmmt -59.12 -44.39 92.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -92.73 5.98 49.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 24' ' ' ILE . 41.8 t -79.79 136.57 36.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 108.296 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -77.09 -31.68 56.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.44 155.09 39.72 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 155.2 42.65 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.498 HH21 ' HB1' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -56.42 107.01 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.349 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.08 -176.18 3.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.51 54.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -97.98 126.48 8.9 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.444 ' C ' ' H ' ' A' ' 38' ' ' LYS . 12.2 t -61.44 117.79 6.15 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.462 ' CZ2' ' HA ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -82.99 39.05 0.62 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -132.26 -49.28 0.92 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.561 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 14.2 p -110.01 -32.39 7.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 108.308 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.03 23.07 15.72 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.441 1.088 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.95 126.15 40.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 0.734 . . . . 0.0 109.327 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.442 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -85.91 119.63 26.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.32 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.35 -48.81 0.79 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.561 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 18.1 p80 -102.62 175.56 5.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 0.786 . . . . 0.0 109.58 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.28 163.26 23.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.7 ttt -51.55 -46.47 63.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -32.29 56.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -118.4 34.93 4.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 34.7 t -58.73 111.74 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 108.341 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.393 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.3 t30 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 6' ' ' PHE . 5.0 t80 -60.61 -15.95 33.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.3 mtt180 -61.17 -13.03 14.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.225 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.929 ' ND2' HG11 ' A' ' 13' ' ' VAL . 11.8 p-10 -56.39 -20.86 21.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.474 ' HA ' HG22 ' A' ' 13' ' ' VAL . 4.7 mt-30 -58.51 -14.93 9.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 ptt-85 -59.46 -14.91 14.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.712 ' O ' HG22 ' A' ' 12' ' ' THR . 0.0 OUTLIER -117.46 24.42 11.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.752 ' O ' HG23 ' A' ' 12' ' ' THR . 3.9 t 51.1 47.11 25.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.437 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.929 HG11 ' ND2' ' A' ' 8' ' ' ASN . 25.4 m -37.03 154.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.53 141.78 36.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.405 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 41.9 t -77.09 111.4 12.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 108.343 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.411 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 7.2 m-85 -73.11 1.01 9.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -93.39 -66.98 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.484 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 26.4 p -83.53 -43.91 15.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 108.306 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.488 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 107.71 30.13 4.14 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -99.23 -172.31 2.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 0.776 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -134.85 128.82 33.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.233 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.21 5.86 7.8 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.582 1.176 . . . . 0.0 111.033 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -166.54 159.02 13.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 0.79 . . . . 0.0 109.566 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.71 HG21 HD21 ' A' ' 8' ' ' ASN . 7.3 pt -111.07 159.15 11.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.455 ' O ' ' NH2' ' A' ' 32' ' ' ARG . . . -49.33 -38.22 27.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.537 ' HB2' HD11 ' A' ' 24' ' ' ILE . 6.1 mmmt -59.03 -43.59 91.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -91.58 5.65 48.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.078 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.4 ' HB2' ' HA ' ' A' ' 25' ' ' ALA . 47.4 t -79.97 139.65 36.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 108.273 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.9 -31.05 35.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.0 153.46 65.96 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 158.61 42.15 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.502 1.791 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.455 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -55.68 105.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.03 177.44 7.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 109.227 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.21 52.52 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.45 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -98.21 123.11 7.74 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.433 ' C ' ' H ' ' A' ' 38' ' ' LYS . 26.3 t -56.77 119.02 5.49 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.488 ' CG ' ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -83.99 36.43 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.433 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.3 OUTLIER -130.9 -48.93 1.03 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.532 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.4 p -109.74 -32.3 7.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 108.266 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.84 22.38 18.28 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.544 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 4.2 tttt -95.81 127.3 41.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 0.722 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.45 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.49 119.95 28.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 110.312 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.66 -48.88 0.78 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.598 1.186 . . . . 0.0 111.038 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.544 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 15.7 p-80 -101.28 -179.65 4.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 0.788 . . . . 0.0 109.619 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 49' ' ' CYS . 5.1 pt20 -129.2 158.18 39.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.362 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.3 ttt -50.57 -46.56 57.76 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -35.12 66.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.01 31.83 6.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.233 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.506 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.8 t -52.11 111.78 0.68 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 108.316 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.379 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.3 t30 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.41 ' CZ ' ' OE1' ' A' ' 9' ' ' GLN . 20.4 t80 -61.56 -18.35 58.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -60.36 -12.6 9.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.235 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.914 ' ND2' HG11 ' A' ' 13' ' ' VAL . 20.4 p-10 -55.96 -19.26 11.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.41 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 53.0 mt-30 -61.54 -11.43 11.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.4 1.062 . . . . 0.0 110.374 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -79.55 3.62 18.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 110.321 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 10' ' ' ARG . 6.6 tttp -131.92 38.67 3.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.759 ' O ' HG23 ' A' ' 12' ' ' THR . 3.0 t 35.5 47.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.914 HG11 ' ND2' ' A' ' 8' ' ' ASN . 9.7 m -39.96 154.71 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -106.32 138.9 41.67 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.439 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 42.3 t -78.28 114.35 17.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 108.342 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.47 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 6.5 m-85 -77.81 8.23 4.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -102.25 -58.09 1.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.075 . . . . 0.0 109.242 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.447 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 24.8 p -94.9 -41.33 9.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.445 1.091 . . . . 0.0 108.378 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.491 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 103.67 28.21 6.07 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -110.71 141.36 44.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.767 . . . . 0.0 109.278 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -84.72 141.75 30.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.376 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.29 -24.7 5.28 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.118 . . . . 0.0 110.948 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -150.65 157.98 43.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 0.777 . . . . 0.0 109.526 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.798 HG21 HD21 ' A' ' 8' ' ' ASN . 12.5 pt -108.21 159.9 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.574 ' HB1' HH21 ' A' ' 32' ' ' ARG . . . -48.91 -36.8 18.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.43 ' HB2' HD11 ' A' ' 24' ' ' ILE . 5.7 mmtt -59.37 -45.41 91.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -97.34 14.37 26.4 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.478 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 53.5 t -83.65 145.92 28.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 108.313 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -84.79 -36.88 21.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.94 155.19 8.58 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 155.04 42.51 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.475 1.776 . . . . 0.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.574 HH21 ' HB1' ' A' ' 25' ' ' ALA . 4.2 mmp_? -54.85 103.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.354 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.22 -176.78 4.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.71 52.76 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.466 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -91.06 121.19 6.19 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.547 1.154 . . . . 0.0 110.961 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.429 ' C ' ' H ' ' A' ' 38' ' ' LYS . 18.0 t -58.06 119.38 6.69 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.491 ' CG ' ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -83.93 37.55 0.6 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 107.982 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.429 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -131.99 -49.24 0.94 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.564 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.6 p -110.23 -31.72 7.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 108.269 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.45 22.9 20.57 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.549 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 1.5 tttt -95.28 121.47 36.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.398 0.705 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.466 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -81.5 117.44 21.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.17 -50.32 0.67 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.541 1.151 . . . . 0.0 111.045 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.564 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 16.6 p-80 -101.01 175.28 5.65 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.453 0.737 . . . . 0.0 109.532 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -124.9 162.15 25.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.9 ttm -51.91 -45.45 64.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.455 1.097 . . . . 0.0 111.05 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -55.18 -34.29 63.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.23 33.88 5.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.479 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 39.3 t -56.66 112.04 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 108.228 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.0 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.385 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.462 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 4.4 t80 -55.43 -27.52 48.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -15.0 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.358 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.909 ' ND2' HG11 ' A' ' 13' ' ' VAL . 21.1 p-10 -57.01 -17.31 9.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -59.55 -14.31 12.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.497 ' O ' ' CZ ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -81.02 5.85 15.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -131.06 37.01 3.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.76 ' O ' HG23 ' A' ' 12' ' ' THR . 2.7 t 34.71 46.61 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.42 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.909 HG11 ' ND2' ' A' ' 8' ' ' ASN . 11.3 m -41.83 154.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.513 ' HE3' ' CZ3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -106.12 140.18 39.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.426 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 43.2 t -80.21 112.48 17.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 108.26 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -74.85 6.74 3.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -101.14 -64.52 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.404 ' O ' ' HB3' ' A' ' 37' ' ' TRP . 27.2 p -87.12 -41.35 13.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.587 1.179 . . . . 0.0 108.311 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.437 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 102.29 31.07 5.42 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.459 1.099 . . . . 0.0 111.054 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.21 143.08 45.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.407 0.71 . . . . 0.0 109.297 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 12' ' ' THR . 1.4 mt-10 -85.95 141.65 29.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.68 -28.74 4.38 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.401 ' O ' ' HB2' ' A' ' 15' ' ' CYS . 22.7 p-80 -146.04 158.32 43.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.604 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.827 HG21 HD21 ' A' ' 8' ' ' ASN . 15.3 pt -107.94 159.54 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.458 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -48.49 -36.21 14.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -59.45 -46.12 89.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -93.39 9.72 35.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 30' ' ' ALA . 48.5 t -83.15 125.86 31.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 108.26 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.423 ' HG2' ' N ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -72.93 -23.69 60.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.442 1.089 . . . . 0.0 110.318 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.468 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . . . -63.2 155.24 74.78 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 151.61 39.64 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.45 1.763 . . . . 0.0 111.041 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.8 mmm-85 -57.34 108.87 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.6 -175.97 3.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -147.27 53.47 1.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.464 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -95.81 124.49 8.05 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.571 1.169 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.448 ' C ' ' H ' ' A' ' 38' ' ' LYS . 14.6 t -58.7 117.89 5.07 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.513 ' CZ3' ' HE3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -82.87 38.21 0.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 107.979 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.448 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -131.77 -49.33 0.96 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.555 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.4 p -109.96 -32.99 6.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 108.263 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.49 22.39 14.53 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -95.42 127.84 41.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 0.756 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.464 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 1.9 pt-20 -87.67 120.19 28.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.59 -48.27 0.83 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.442 1.089 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.555 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 17.5 p80 -102.38 177.0 4.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 0.73 . . . . 0.0 109.609 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 49' ' ' CYS . 2.0 pt20 -126.09 158.5 35.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.14 . . . . 0.0 110.309 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.8 tmm? -51.0 -44.59 60.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.21 -35.98 67.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -114.11 32.74 5.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 45' ' ' GLN . 35.5 t -53.66 111.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 108.31 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.361 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.9 t30 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.08 -15.18 8.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.377 1.048 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.445 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -60.21 -9.11 2.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.956 ' ND2' HG11 ' A' ' 13' ' ' VAL . 25.4 p-10 -57.01 -25.59 58.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -60.9 -11.02 6.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.445 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -80.39 0.4 33.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.082 . . . . 0.0 110.266 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 12' ' ' THR . 11.9 ttpt -128.07 38.2 4.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.637 1.211 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.746 ' O ' HG23 ' A' ' 12' ' ' THR . 3.6 t 35.67 48.04 0.43 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.424 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.956 HG11 ' ND2' ' A' ' 8' ' ' ASN . 9.9 m -39.1 154.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.85 134.18 51.88 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 42.6 t -72.04 113.42 9.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 108.287 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -77.39 7.87 4.85 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.547 1.154 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -101.96 -58.63 1.84 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.568 1.167 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 27.4 p -93.53 -42.2 9.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 0.0 108.342 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 103.94 31.25 4.84 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.47 1.107 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.27 139.01 50.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 0.732 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -82.06 144.8 30.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.253 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.43 -22.7 6.95 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.483 1.115 . . . . 0.0 110.995 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.1 p-80 -152.51 157.46 41.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 109.587 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.763 HG21 HD21 ' A' ' 8' ' ' ASN . 14.6 pt -107.34 161.51 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.408 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -48.17 -36.95 14.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.37 -45.87 91.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -92.86 13.35 20.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.622 1.201 . . . . 0.0 109.319 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.428 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 48.9 t -84.91 138.33 32.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 108.377 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.6 ttt85 -79.95 -30.18 39.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.342 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.52 155.3 69.03 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.244 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 154.06 42.0 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.478 1.778 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.72 107.57 0.35 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.354 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.47 -175.84 3.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.57 54.55 0.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.235 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.463 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -98.14 126.9 9.05 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.454 ' C ' ' H ' ' A' ' 38' ' ' LYS . 13.2 t -58.23 118.53 5.59 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.45 38.47 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 108.018 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.454 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -132.67 -49.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 109.353 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.542 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.2 p -110.28 -32.87 6.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 108.289 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.62 20.68 18.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.438 1.087 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.586 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -93.69 127.91 39.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.463 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 18.0 pt-20 -87.31 123.07 31.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.19 -45.96 1.06 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.509 1.13 . . . . 0.0 110.965 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.586 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 9.7 p-80 -104.75 171.9 7.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.592 0.819 . . . . 0.0 109.638 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.478 ' OE1' ' CB ' ' A' ' 47' ' ' LYS . 2.9 pt20 -123.78 163.54 20.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.06 -49.72 60.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.478 ' CB ' ' OE1' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -53.36 -31.09 42.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.01 34.46 5.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.524 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.0 t -53.09 112.06 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 108.245 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.53 HG22 ' CE1' ' A' ' 44' ' ' HIS . 11.5 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.463 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.5 t30 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.547 ' CZ ' ' HG3' ' A' ' 9' ' ' GLN . 32.6 t80 -58.34 -14.02 6.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -56.06 -17.67 7.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.923 ' ND2' HG11 ' A' ' 13' ' ' VAL . 14.8 p-10 -55.75 -18.69 8.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.36 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.547 ' HG3' ' CZ ' ' A' ' 6' ' ' PHE . 0.5 OUTLIER -60.43 -12.53 9.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.366 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.8 -7.18 31.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 12' ' ' THR . 13.6 ttpp -126.52 39.55 3.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.767 ' O ' HG23 ' A' ' 12' ' ' THR . 3.7 t 35.18 48.89 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.923 HG11 ' ND2' ' A' ' 8' ' ' ASN . 11.6 m -37.3 154.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.235 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.25 133.37 50.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.383 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.2 t -67.71 112.21 4.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.451 1.094 . . . . 0.0 108.273 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -75.4 4.12 7.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -96.97 -65.64 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 109.359 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 37' ' ' TRP . 26.3 p -84.38 -40.65 17.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.565 1.166 . . . . 0.0 108.315 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.545 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 104.64 28.88 5.53 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -98.4 -171.21 2.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -135.16 128.0 31.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.085 . . . . 0.0 110.311 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 122.73 11.67 5.34 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -173.78 157.78 3.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.619 0.834 . . . . 0.0 109.578 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.768 HG21 HD21 ' A' ' 8' ' ' ASN . 12.2 pt -110.9 159.41 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.465 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -49.73 -36.1 24.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.441 ' HB2' HD11 ' A' ' 24' ' ' ILE . 5.4 mmmt -59.05 -44.73 91.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -92.98 5.83 50.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.62 1.2 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.465 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 42.5 t -80.09 135.48 36.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 108.285 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -30.5 61.84 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.82 150.22 94.99 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 157.72 42.57 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.481 1.78 . . . . 0.0 110.952 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.46 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 0.2 OUTLIER -56.16 102.07 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -122.12 -177.63 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.594 1.184 . . . . 0.0 109.305 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.51 49.76 1.6 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.566 1.166 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.34 120.33 6.08 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.536 1.148 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.432 ' C ' ' H ' ' A' ' 38' ' ' LYS . 11.9 t -60.15 116.81 4.47 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.545 ' CG ' ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -83.28 39.53 0.66 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.13 . . . . 0.0 107.979 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.432 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -131.96 -48.9 0.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.52 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 17.7 p -108.79 -33.03 7.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 108.262 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.15 25.21 11.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.557 1.16 . . . . 0.0 111.062 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.77 128.41 44.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 109.336 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -88.26 115.73 25.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 110.344 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 145.0 -50.4 0.64 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.539 1.149 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.52 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 17.6 p80 -100.91 178.51 4.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 0.751 . . . . 0.0 109.656 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.03 163.86 26.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.343 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.6 ttp -52.23 -40.15 61.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -55.07 -33.48 62.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.394 1.059 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -123.9 39.85 3.87 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 35.0 t -57.81 112.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 108.255 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.417 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.6 t30 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -60.16 -14.05 15.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.678 ' HB2' HH21 ' A' ' 10' ' ' ARG . 21.6 ptt-85 -60.62 -13.44 14.43 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.518 1.136 . . . . 0.0 110.251 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.914 ' ND2' HG11 ' A' ' 13' ' ' VAL . 20.7 p-10 -56.15 -18.78 11.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.353 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.553 ' HA ' HG22 ' A' ' 13' ' ' VAL . 1.6 mm-40 -59.8 -14.83 16.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.575 1.172 . . . . 0.0 110.278 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.678 HH21 ' HB2' ' A' ' 7' ' ' ARG . 5.7 ptp180 -59.96 -14.83 17.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.351 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.467 ' CG ' ' O ' ' A' ' 11' ' ' LYS . 5.6 ttpp -117.3 35.77 4.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.367 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.758 ' O ' HG23 ' A' ' 12' ' ' THR . 3.8 t 36.64 48.49 0.64 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 110.408 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.914 HG11 ' ND2' ' A' ' 8' ' ' ASN . 10.7 m -38.63 155.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.363 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -105.83 143.87 33.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.428 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 45.2 t -79.93 111.63 16.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 108.312 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -72.21 -0.12 11.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -92.64 -68.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.478 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 26.5 p -82.44 -44.09 16.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 108.27 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.525 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 107.24 30.27 4.21 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.446 1.091 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -98.89 -172.15 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.367 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -134.43 127.11 30.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.396 1.06 . . . . 0.0 110.358 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.74 3.6 7.03 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.519 1.137 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 -166.03 160.22 16.31 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 0.79 . . . . 0.0 109.618 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.612 HG21 HD21 ' A' ' 8' ' ' ASN . 6.0 pt -112.47 161.26 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.8 -40.19 40.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.523 ' HB2' HD11 ' A' ' 24' ' ' ILE . 4.1 mmmt -58.82 -42.29 88.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -95.31 12.0 30.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 24' ' ' ILE . 44.1 t -84.6 134.22 34.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 108.362 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -30.98 56.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 110.345 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.01 158.74 24.09 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 148.99 35.97 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.441 1.759 . . . . 0.0 110.958 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 -58.62 110.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 110.371 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -142.83 -174.52 4.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.79 49.83 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.496 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -84.46 126.06 7.45 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.576 1.173 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.467 ' C ' ' H ' ' A' ' 38' ' ' LYS . 26.3 t -59.63 123.56 17.3 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.525 ' CG ' ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -82.8 35.22 0.46 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.48 1.112 . . . . 0.0 108.009 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.2 OUTLIER -133.51 -49.86 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.545 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.4 p -109.98 -31.85 7.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 108.325 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.8 21.72 22.86 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.556 1.16 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.49 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 5.4 tptt -94.29 123.87 37.96 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.435 0.727 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.496 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 22.7 pt-20 -83.35 114.91 21.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.62 -52.91 0.53 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.444 1.09 . . . . 0.0 111.026 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.545 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 25.5 p-80 -98.48 174.46 6.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.42 0.718 . . . . 0.0 109.602 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -121.97 159.86 26.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.381 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.6 tmm? -52.05 -40.22 60.78 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.48 1.112 . . . . 0.0 111.037 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.07 -33.74 63.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.574 1.171 . . . . 0.0 109.405 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -119.54 37.04 4.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.371 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 35.6 t -58.17 111.32 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.592 1.183 . . . . 0.0 108.281 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.393 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -58.05 -20.4 38.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.93 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.52 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 6.0 mmp_? -59.32 -11.73 4.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.931 ' OD1' HG11 ' A' ' 13' ' ' VAL . 10.6 t-20 -58.03 -38.52 76.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.652 ' HA ' HG22 ' A' ' 13' ' ' VAL . 4.9 mp0 -62.25 -11.85 17.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.412 1.07 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.52 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 16.8 ptt85 -63.43 -10.8 18.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.496 ' CG ' ' O ' ' A' ' 11' ' ' LYS . 1.2 tttm -118.48 37.28 4.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.355 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.79 ' O ' HG23 ' A' ' 12' ' ' THR . 1.6 t 38.27 45.29 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.415 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.931 HG11 ' OD1' ' A' ' 8' ' ' ASN . 25.6 m -42.41 154.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.558 ' HD3' ' CH2' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -100.53 126.45 46.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.498 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 42.6 t -62.24 121.35 12.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 108.296 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.435 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 4.1 m-85 -82.5 14.59 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -113.79 -45.51 3.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 22.2 p -112.39 -37.74 4.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 108.312 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.498 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 110.15 -18.67 28.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.127 . . . . 0.0 111.009 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.55 136.71 56.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 0.729 . . . . 0.0 109.234 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.94 143.56 27.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.298 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.15 -40.62 1.7 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -130.79 157.6 42.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 109.623 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.765 ' CG2' HG21 ' A' ' 13' ' ' VAL . 16.1 pt -104.69 157.63 5.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.164 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.469 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -47.52 -35.78 9.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -59.53 -47.41 85.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -93.26 10.25 32.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.469 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 43.7 t -80.89 137.3 36.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 108.345 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.77 -30.72 32.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.343 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.08 155.32 8.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 154.19 42.43 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.505 1.792 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.39 104.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.39 179.44 5.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.582 1.176 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.6 mtmt -148.93 54.11 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.439 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -101.38 125.95 8.74 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.426 ' C ' ' H ' ' A' ' 38' ' ' LYS . 18.9 t -59.49 118.79 6.45 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.558 ' CH2' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -84.21 37.7 0.63 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 0.0 107.997 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.426 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.3 OUTLIER -131.68 -48.84 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.525 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.6 p -109.25 -32.02 7.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 108.297 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.34 23.11 17.55 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.572 1.17 . . . . 0.0 110.958 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.523 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -96.73 129.88 44.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 0.742 . . . . 0.0 109.276 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.439 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -89.42 121.31 31.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 110.273 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.33 -48.35 0.84 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.585 1.178 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.525 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 17.8 p-80 -102.36 179.58 4.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 0.79 . . . . 0.0 109.555 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -130.08 161.37 31.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.4 ttp -50.7 -43.94 57.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 111.065 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -36.81 68.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -114.05 33.48 5.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.495 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 35.7 t -55.05 111.46 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 108.307 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.382 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.46 ' HA ' ' CZ ' ' A' ' 7' ' ' ARG . 12.1 t30 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.431 ' CZ ' ' OD1' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -58.71 -14.22 7.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 111.072 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.46 ' CZ ' ' HA ' ' A' ' 5' ' ' ASN . 1.1 ptt85 -60.03 -10.16 3.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.96 ' ND2' HG11 ' A' ' 13' ' ' VAL . 22.4 p-10 -56.51 -31.64 64.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.561 ' HA ' HG22 ' A' ' 13' ' ' VAL . 54.8 mt-30 -55.62 -17.92 6.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.587 1.179 . . . . 0.0 110.272 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.92 -15.72 14.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.258 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.904 ' HE3' HG12 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.81 23.3 13.6 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.779 ' O ' HG23 ' A' ' 12' ' ' THR . 2.2 t 52.87 46.47 26.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.96 HG11 ' ND2' ' A' ' 8' ' ' ASN . 28.6 m -38.28 156.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -104.02 136.89 42.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.4 t -73.23 112.52 9.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 108.344 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -77.56 5.09 9.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 110.957 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -96.84 -56.49 2.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.347 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.442 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 27.9 p -95.65 -44.4 7.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 108.332 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.6 30.38 3.55 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.557 1.161 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -100.17 -171.74 2.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 0.812 . . . . 0.0 109.241 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -134.7 131.35 37.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.45 15.77 6.32 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.429 1.081 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -176.16 158.93 2.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 0.729 . . . . 0.0 109.545 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.653 HG21 HD21 ' A' ' 8' ' ' ASN . 7.6 pt -110.05 162.17 7.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.404 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -49.37 -39.66 32.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.484 ' HB2' HD11 ' A' ' 24' ' ' ILE . 5.7 mmmt -59.82 -42.58 93.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.35 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.431 ' OD1' ' CZ ' ' A' ' 6' ' ' PHE . 88.2 m-20 -89.61 9.15 27.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.404 ' HB2' ' HA ' ' A' ' 25' ' ' ALA . 35.1 t -83.95 134.67 34.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 108.305 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -75.82 -26.35 57.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.84 158.92 81.78 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 149.83 37.52 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 111.029 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.54 106.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.265 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.76 -175.91 3.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.28 50.12 1.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.47 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -90.44 119.91 5.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.437 ' C ' ' H ' ' A' ' 38' ' ' LYS . 12.6 t -56.5 120.64 8.06 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.442 ' CD1' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -83.69 38.89 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 108.017 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.437 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -133.52 -49.4 0.84 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.545 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.6 p -110.22 -31.79 7.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 108.296 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.75 21.27 21.86 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.509 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -93.76 126.85 39.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.754 . . . . 0.0 109.327 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.47 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -86.91 112.81 22.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.168 . . . . 0.0 110.235 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 150.29 -53.74 0.5 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.545 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 27.0 p-80 -97.08 174.55 6.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.434 0.726 . . . . 0.0 109.589 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -121.9 160.51 24.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 0.0 110.288 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -52.91 -37.47 60.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.54 -36.29 66.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.69 36.31 4.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.411 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 35.0 t -54.25 111.68 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 108.315 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 110.394 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.2 t30 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.466 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 1.4 t80 -60.52 -15.49 27.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -13.32 12.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.43 1.081 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.901 ' ND2' HG11 ' A' ' 13' ' ' VAL . 13.4 p-10 -55.69 -19.2 9.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.347 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.61 ' HA ' HG22 ' A' ' 13' ' ' VAL . 35.2 mt-30 -59.54 -13.91 11.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -63.39 -11.75 25.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.414 1.071 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' THR . 11.7 ttpp -122.92 39.24 4.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.763 ' O ' HG23 ' A' ' 12' ' ' THR . 3.4 t 36.78 48.92 0.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.901 HG11 ' ND2' ' A' ' 8' ' ' ASN . 10.2 m -37.66 154.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.537 1.148 . . . . 0.0 109.22 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.57 ' HE2' ' CZ3' ' A' ' 37' ' ' TRP . 0.8 OUTLIER -104.65 135.57 45.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.2 t -74.88 115.32 14.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 108.291 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.468 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 12.9 m-85 -79.91 10.49 4.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.597 1.186 . . . . 0.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -103.89 -50.33 3.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -103.94 -42.86 5.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 108.322 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.8 29.87 4.49 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.96 139.17 50.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 0.743 . . . . 0.0 109.262 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.6 140.82 31.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.69 2.91 8.66 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -175.97 158.66 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.766 . . . . 0.0 109.606 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.74 HG21 HD21 ' A' ' 8' ' ' ASN . 8.4 pt -109.69 158.03 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.475 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -48.34 -37.33 16.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.493 ' HB2' HD11 ' A' ' 24' ' ' ILE . 3.8 mmmt -59.08 -45.94 89.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.386 1.054 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -93.95 9.36 37.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 109.309 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.475 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 48.7 t -81.39 130.5 35.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 108.29 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -68.27 -32.09 72.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.34 154.09 44.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.383 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 155.73 42.93 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.485 1.781 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.19 105.55 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.248 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.9 -177.13 4.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -150.71 55.01 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.454 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -99.68 127.93 9.41 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.436 1.085 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.424 ' C ' ' H ' ' A' ' 38' ' ' LYS . 35.3 t -62.51 118.77 8.01 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.57 ' CZ3' ' HE2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -85.32 35.48 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.424 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -129.69 -48.35 1.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.587 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.6 p -109.92 -31.86 7.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 108.263 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.02 22.38 20.44 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.28 125.9 41.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.454 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.4 OUTLIER -86.35 121.56 29.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.251 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 139.48 -47.75 0.89 Allowed Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.587 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 17.2 p80 -103.03 -177.84 3.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 0.8 . . . . 0.0 109.577 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 49' ' ' CYS . 2.5 pt20 -133.54 158.8 42.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.248 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.4 ttt -50.68 -42.8 57.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.13 -37.6 69.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.18 34.29 5.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.43 ' N ' ' O ' ' A' ' 45' ' ' GLN . 33.8 t -52.47 112.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 108.318 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.425 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 t30 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -60.25 -14.65 18.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 33.3 ptt-85 -60.91 -11.42 7.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.916 ' ND2' HG11 ' A' ' 13' ' ' VAL . 19.8 p-10 -56.3 -22.81 32.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.6 ' HA ' HG22 ' A' ' 13' ' ' VAL . 6.2 mm-40 -60.87 -11.47 7.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.432 ' O ' ' CZ ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -71.54 -3.99 24.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.477 ' CG ' ' O ' ' A' ' 11' ' ' LYS . 4.0 tttt -126.66 40.97 3.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.78 ' O ' HG23 ' A' ' 12' ' ' THR . 2.6 t 35.5 47.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.561 1.163 . . . . 0.0 110.41 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.916 HG11 ' ND2' ' A' ' 8' ' ' ASN . 8.8 m -38.76 154.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -107.39 138.92 42.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.401 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 42.4 t -77.1 112.66 13.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 108.309 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.457 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 7.8 m-85 -76.74 7.57 4.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -100.82 -58.43 1.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.428 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 25.0 p -94.68 -42.75 8.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.41 1.069 . . . . 0.0 108.293 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 106.22 27.86 5.44 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.58 140.21 46.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 0.782 . . . . 0.0 109.34 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.81 141.79 30.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.86 -11.35 7.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.583 1.177 . . . . 0.0 111.047 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 -164.73 156.43 15.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 0.0 109.58 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.741 HG21 HD21 ' A' ' 8' ' ' ASN . 20.4 pt -106.17 160.42 5.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.578 ' HB1' HH21 ' A' ' 32' ' ' ARG . . . -48.07 -35.7 11.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.176 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -59.97 -46.91 87.91 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -94.01 14.24 20.39 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.44 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 43.4 t -85.59 135.66 33.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.569 1.168 . . . . 0.0 108.31 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.82 -31.62 57.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.578 1.174 . . . . 0.0 110.26 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.64 155.09 31.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.108 . . . . 0.0 109.297 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 154.68 42.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.474 1.776 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.578 HH21 ' HB1' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -55.82 101.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.355 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -124.14 179.35 4.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.419 1.074 . . . . 0.0 109.362 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -145.34 51.77 1.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -95.9 124.76 8.15 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.552 1.157 . . . . 0.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.413 ' C ' ' H ' ' A' ' 38' ' ' LYS . 44.1 t -62.15 119.24 8.57 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.457 ' CZ2' ' HA ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -86.32 32.91 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 108.014 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -127.57 -47.29 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.237 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.553 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.5 p -109.24 -32.13 7.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 108.266 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.53 22.49 21.48 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.453 1.096 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.508 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -96.18 128.64 43.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.543 0.79 . . . . 0.0 109.343 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.432 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 1.7 pt-20 -88.83 117.21 27.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.589 1.181 . . . . 0.0 110.357 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.56 -50.32 0.66 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.463 1.102 . . . . 0.0 110.967 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.553 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 21.4 p-80 -100.66 -176.69 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 0.735 . . . . 0.0 109.647 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -135.34 158.49 44.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.242 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.4 tmm? -52.11 -41.18 62.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.68 -33.38 60.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.382 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -124.86 39.86 3.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.466 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 33.7 t -56.56 112.0 1.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 108.354 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.526 1.142 . . . . 0.0 110.44 179.995 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 t30 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.682 ' HE2' HD22 ' A' ' 27' ' ' ASN . 0.2 OUTLIER -57.99 -14.76 7.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.376 1.047 . . . . 0.0 110.961 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.513 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -58.98 -10.35 2.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.94 ' ND2' HG11 ' A' ' 13' ' ' VAL . 32.0 p-10 -57.01 -37.52 71.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.448 ' N ' ' OD1' ' A' ' 8' ' ' ASN . 20.9 mt-30 -59.25 -10.23 2.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.33 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.513 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -57.34 -16.31 8.56 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -180.0 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.502 ' O ' ' HB ' ' A' ' 12' ' ' THR . 4.9 ttpp -110.27 -84.68 0.56 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.815 ' O ' HG23 ' A' ' 12' ' ' THR . 1.4 t 179.26 46.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.94 HG11 ' ND2' ' A' ' 8' ' ' ASN . 11.1 m -40.24 154.99 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.88 138.78 39.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.403 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 42.2 t -76.8 111.66 12.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 108.3 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -75.3 4.16 7.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 111.032 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -96.47 -63.28 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 26.2 p -87.41 -42.92 12.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 108.279 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.424 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 107.53 29.49 4.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.429 1.081 . . . . 0.0 111.01 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -98.01 -173.43 2.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 0.76 . . . . 0.0 109.294 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -133.35 116.7 16.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 145.0 -32.96 1.65 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 27.5 p-80 -134.17 161.63 34.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 0.0 109.606 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.696 HG21 HD21 ' A' ' 8' ' ' ASN . 8.9 pt -109.22 161.08 7.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.453 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -49.62 -38.08 30.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.479 ' HB2' HD11 ' A' ' 24' ' ' ILE . 3.5 mmtt -59.21 -43.75 92.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.682 HD22 ' HE2' ' A' ' 6' ' ' PHE . 29.8 m120 -95.43 10.01 37.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.363 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.453 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 44.9 t -83.87 128.98 34.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 108.305 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -69.8 -27.86 65.24 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.41 153.97 85.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 153.68 41.93 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.481 1.78 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.41 106.86 0.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.241 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -126.33 -176.47 3.67 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.493 1.12 . . . . 0.0 109.344 179.926 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.5 mtmm -147.55 53.16 1.05 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.155 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.42 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -99.41 129.18 9.81 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.424 ' C ' ' H ' ' A' ' 38' ' ' LYS . 23.2 t -63.65 118.02 7.66 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.424 ' CG ' ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -84.58 37.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 108.006 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.424 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -130.42 -48.37 1.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.589 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.5 p -109.65 -31.84 7.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 108.327 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.46 22.66 18.46 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.1 130.33 43.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 0.734 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.42 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 13.8 pt-20 -89.77 123.19 33.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.19 -45.79 1.07 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.589 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 14.2 p80 -104.94 174.76 5.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.585 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -127.39 162.6 25.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.8 tmm? -50.57 -43.69 56.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -55.42 -36.78 66.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.63 30.85 7.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.419 ' N ' ' O ' ' A' ' 45' ' ' GLN . 33.5 t -50.23 112.17 0.64 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.43 1.081 . . . . 0.0 108.331 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 0.0 110.423 -179.992 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.8 t30 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.737 ' CZ ' ' ND2' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -58.64 -14.27 7.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 111.048 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -11.65 4.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.928 ' ND2' HG11 ' A' ' 13' ' ' VAL . 20.6 p-10 -54.44 -19.38 5.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.377 1.048 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.476 ' HA ' HG22 ' A' ' 13' ' ' VAL . 35.4 mt-30 -63.34 -8.24 8.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -77.08 -4.26 43.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 12' ' ' THR . 19.8 ttpp -125.43 39.98 3.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.744 ' O ' HG23 ' A' ' 12' ' ' THR . 4.2 t 35.48 47.68 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.928 HG11 ' ND2' ' A' ' 8' ' ' ASN . 9.1 m -38.74 154.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.04 138.85 42.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.415 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 45.2 t -78.14 114.13 16.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 108.293 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.46 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 9.2 m-85 -79.12 9.57 4.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -103.66 -55.69 2.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.34 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 27.4 p -96.7 -41.88 8.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.421 1.076 . . . . 0.0 108.229 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.515 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 103.55 31.24 4.97 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 -179.931 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.94 140.14 48.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.736 . . . . 0.0 109.268 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -84.17 141.01 31.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.91 -25.96 4.87 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.439 1.087 . . . . 0.0 111.04 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.1 p-80 -149.71 157.67 43.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 0.736 . . . . 0.0 109.585 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.769 HG21 HD21 ' A' ' 8' ' ' ASN . 19.7 pt -105.48 161.75 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.48 ' HB1' HH21 ' A' ' 32' ' ' ARG . . . -48.31 -35.74 12.92 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -60.68 -46.38 90.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.737 ' ND2' ' CZ ' ' A' ' 6' ' ' PHE . 29.9 m120 -90.73 13.26 16.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.368 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.406 ' HB2' ' HA ' ' A' ' 25' ' ' ALA . 35.0 t -87.14 135.21 33.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 108.354 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -80.71 -24.73 38.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.137 . . . . 0.0 110.289 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.9 156.36 73.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 155.06 43.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.518 1.799 . . . . 0.0 111.041 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.48 HH21 ' HB1' ' A' ' 25' ' ' ALA . 5.0 mmp_? -57.85 104.92 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -130.7 -176.24 3.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -145.23 52.41 1.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.599 1.187 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.44 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -91.18 123.13 7.0 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.426 ' C ' ' H ' ' A' ' 38' ' ' LYS . 9.4 t -60.16 119.49 7.95 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.515 ' CG ' ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -83.62 40.43 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 107.97 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.426 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -133.91 -49.05 0.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 0.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.587 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 12.7 p -109.97 -32.41 7.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 108.259 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.3 22.53 16.73 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -95.37 129.05 42.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.367 0.686 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.44 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.8 OUTLIER -88.04 116.55 26.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 0.0 110.329 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 145.43 -51.17 0.61 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.587 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 21.1 p80 -100.0 176.73 5.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 0.738 . . . . 0.0 109.631 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.03 164.09 23.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 110.258 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.4 tpt -52.57 -40.68 62.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -52.99 -30.87 37.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -129.07 42.47 3.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 41.5 t -58.34 111.49 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 108.282 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.084 . . . . 0.0 110.443 179.977 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.0 t30 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.43 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 22.8 t80 -60.61 -16.58 39.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.039 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.486 ' HE ' ' NH1' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -61.05 -11.32 8.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.945 ' ND2' HG11 ' A' ' 13' ' ' VAL . 24.1 p-10 -56.96 -21.29 29.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.42 ' HA ' HG22 ' A' ' 13' ' ' VAL . 15.4 mt-30 -62.93 -10.12 12.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.348 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.486 ' NH1' ' HE ' ' A' ' 7' ' ' ARG . 12.9 ptt-85 -75.49 -2.35 28.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.259 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 12' ' ' THR . 11.4 tttp -128.73 38.78 3.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.704 ' O ' HG23 ' A' ' 12' ' ' THR . 5.5 t 35.77 48.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.945 HG11 ' ND2' ' A' ' 8' ' ' ASN . 8.7 m -37.57 154.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.91 143.47 36.48 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.419 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 44.3 t -80.87 115.91 20.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 108.215 -179.918 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.404 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 6.9 m-85 -81.75 13.07 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -107.91 -49.0 3.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.419 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 26.0 p -104.41 -40.8 5.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 108.288 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.536 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 102.9 29.61 5.77 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.543 1.152 . . . . 0.0 110.952 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HB2' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -108.71 139.89 42.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 0.0 109.235 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.65 132.81 34.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 136.94 -43.43 1.23 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.116 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.5 p-80 -130.02 159.74 35.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 0.751 . . . . 0.0 109.598 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.768 HG21 HD21 ' A' ' 8' ' ' ASN . 12.5 pt -107.37 157.97 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.229 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.483 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -48.73 -35.6 14.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.442 ' HB2' HD11 ' A' ' 24' ' ' ILE . 12.6 mmmt -59.3 -46.33 88.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -96.81 14.59 24.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.483 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 53.9 t -83.56 137.47 33.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 108.295 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.56 -35.08 60.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.18 156.0 8.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 149.67 36.9 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.525 1.802 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.72 105.22 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -143.96 -174.99 4.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.353 179.921 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 39.4 mttt -135.0 47.02 2.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.497 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -72.21 123.84 9.66 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.412 1.07 . . . . 0.0 110.967 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.48 ' C ' ' H ' ' A' ' 38' ' ' LYS . 15.9 t -61.64 124.04 19.57 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.536 ' CG ' ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -81.66 36.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 108.019 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.48 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -134.73 -50.32 0.78 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.559 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 9.7 p -111.55 -31.83 6.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 108.279 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.67 18.73 24.62 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.548 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -91.38 120.31 32.13 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 179.937 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.497 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -81.27 111.25 17.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 152.51 -54.69 0.45 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.559 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 19.6 p-80 -94.9 -178.59 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 0.734 . . . . 0.0 109.608 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 49' ' ' CYS . 51.9 mt-30 -125.77 154.08 43.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 110.255 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.4 tmm? -49.92 -41.14 45.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -39.69 80.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.1 29.89 7.24 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.502 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.4 t -43.87 113.16 0.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 108.285 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.2 t . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.383 -179.997 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 t30 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.518 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -59.95 -16.52 30.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 0.0 110.988 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.416 ' O ' ' HB3' ' A' ' 10' ' ' ARG . 1.5 ptm180 -60.58 -12.06 8.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.94 ' ND2' HG11 ' A' ' 13' ' ' VAL . 15.7 p-10 -56.88 -33.96 67.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.501 ' HA ' HG22 ' A' ' 13' ' ' VAL . 35.0 mt-30 -59.12 -11.38 3.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.248 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.44 ' CZ ' ' HB2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -54.86 -18.34 4.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.931 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.473 ' O ' ' HB ' ' A' ' 12' ' ' THR . 15.3 ttpp -107.2 -84.52 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.799 ' O ' HG23 ' A' ' 12' ' ' THR . 1.3 t -179.93 45.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.94 HG11 ' ND2' ' A' ' 8' ' ' ASN . 13.4 m -42.23 154.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.79 144.33 33.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 42.6 t -84.17 111.32 19.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 108.297 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.466 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 11.0 m-85 -77.48 6.76 6.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -98.98 -54.29 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.24 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.44 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 26.3 p -99.05 -45.06 6.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 108.313 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.97 29.9 3.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -111.3 141.62 44.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -86.69 139.12 31.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.16 -29.97 3.59 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.456 1.098 . . . . 0.0 111.002 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.405 ' O ' ' HB2' ' A' ' 15' ' ' CYS . 22.6 p-80 -145.21 158.53 43.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 0.78 . . . . 0.0 109.629 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.688 HG21 HD21 ' A' ' 8' ' ' ASN . 12.5 pt -107.05 161.87 5.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.42 1.075 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.724 ' HB1' HH21 ' A' ' 32' ' ' ARG . . . -48.5 -35.67 13.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.505 ' HB2' HD11 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -59.72 -46.3 89.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -95.44 16.0 18.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.439 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 42.2 t -87.43 137.51 32.28 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.447 1.092 . . . . 0.0 108.324 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.59 -32.75 58.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.45 156.82 20.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 151.04 39.03 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.724 HH21 ' HB1' ' A' ' 25' ' ' ALA . 9.6 mmp_? -57.0 103.22 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.342 179.924 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -134.81 -175.41 3.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.607 1.192 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.42 51.68 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.205 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.476 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -87.38 121.46 5.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.476 1.11 . . . . 0.0 111.05 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.428 ' C ' ' H ' ' A' ' 38' ' ' LYS . 18.1 t -58.67 120.45 8.95 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.466 ' CZ2' ' HA ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -84.61 38.04 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.9 OUTLIER -132.65 -49.59 0.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.531 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.6 p -109.72 -31.28 7.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 108.227 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.07 21.48 22.86 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.468 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -96.12 126.54 41.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 0.786 . . . . 0.0 109.323 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.476 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 12.9 pt-20 -85.98 123.65 31.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 139.16 -47.95 0.89 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.531 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 18.7 p-80 -103.15 177.59 4.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.566 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -126.67 161.3 28.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.9 ttp -50.8 -40.98 56.79 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.574 1.171 . . . . 0.0 110.998 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -56.83 -38.15 72.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.381 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.47 33.36 5.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.368 179.897 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.489 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.1 t -50.64 112.01 0.63 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.079 . . . . 0.0 108.311 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.8 p . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 110.374 -179.948 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.6 t30 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -60.85 -15.83 34.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.0 mtm105 -59.41 -14.73 13.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.916 ' ND2' HG11 ' A' ' 13' ' ' VAL . 15.2 p-10 -55.78 -18.87 9.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 109.323 179.926 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.545 ' HA ' HG22 ' A' ' 13' ' ' VAL . 4.6 mm-40 -61.03 -12.06 10.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.229 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -67.57 -8.23 32.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 12' ' ' THR . 6.7 ttpt -126.1 39.27 3.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.413 1.07 . . . . 0.0 109.328 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.756 ' O ' HG23 ' A' ' 12' ' ' THR . 4.8 t 36.33 49.1 0.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.385 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.916 HG11 ' ND2' ' A' ' 8' ' ' ASN . 7.8 m -37.32 154.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.67 136.62 47.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 44.7 t -75.06 109.37 8.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 108.285 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.464 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 11.6 m-85 -73.56 4.17 5.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -95.33 -64.48 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.489 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 27.0 p -89.54 -42.99 11.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 108.305 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 107.57 28.63 4.75 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.127 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.72 138.35 47.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.73 138.23 32.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.1 -1.99 8.38 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 22.9 p-80 -170.36 157.72 6.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 0.779 . . . . 0.0 109.601 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.762 HG21 HD21 ' A' ' 8' ' ' ASN . 13.8 pt -109.74 160.76 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.412 1.07 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.48 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -49.27 -36.85 21.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.408 ' HB2' HD11 ' A' ' 24' ' ' ILE . 4.7 mmmt -59.33 -44.77 92.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -97.25 13.27 30.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.214 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.48 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 52.6 t -84.0 131.92 34.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 108.261 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -33.52 73.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.46 157.0 38.53 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 149.92 36.93 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.802 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.9 mmm-85 -56.36 109.81 0.67 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 110.352 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -140.97 -176.04 4.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 109.34 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -142.17 50.71 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.459 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -87.06 119.95 5.36 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.444 ' C ' ' H ' ' A' ' 38' ' ' LYS . 34.6 t -58.02 120.73 9.07 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.489 ' CD1' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -84.43 35.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.97 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -131.15 -49.05 1.01 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.24 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.559 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.4 p -110.24 -31.84 7.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 108.265 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.25 21.26 25.42 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.448 1.093 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -92.31 120.44 32.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 109.331 179.942 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.459 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -81.05 113.76 19.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 110.343 179.996 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.21 -52.33 0.54 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 17.0 p-80 -98.27 179.58 4.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 109.613 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -128.24 161.31 29.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.9 tpt -52.36 -45.63 65.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -31.28 59.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -121.75 37.26 4.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.497 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 33.6 t -50.34 112.27 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 108.219 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 40.0 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.415 179.939 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.362 -7.563 2 C5'-C4'-O4' 122.116 9.225 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.398 -4.578 2 C5'-C4'-O4' 132.221 16.444 . 0.089 1L . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 203' ' ' ' A' . . . . . 0.568 " H2'" ' C6 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.29 -13.592 1 C1'-O4'-C4' 119.641 11.156 . 0.168 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 204' ' ' ' C' . . . . . 0.584 " H2'" ' C6 ' ' B' ' 205' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.098 -29.557 2 C5'-C4'-O4' 137.722 20.373 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear build full ' B' B ' 205' ' ' ' U' . . . . . 0.584 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.272 -15.113 2 C5'-C4'-O4' 136.12 19.228 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 001 nuclear build full ' B' B ' 206' ' ' ' A' . . . . . 0.54 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.187 -22.192 2 C5'-C4'-O4' 134.179 17.842 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear build full ' B' B ' 207' ' ' ' G' . . . . . 0.54 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.396 -4.74 3 C5'-C4'-O4' 132.525 16.66 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 001 nuclear build full ' B' B ' 208' ' ' ' C' . . . . . 0.491 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.119 -27.871 2 C5'-C4'-O4' 136.743 19.674 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.64 ' N2 ' ' C5 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.254 -16.624 1 C5'-C4'-O4' 144.575 25.268 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear build full ' B' B ' 210' ' ' ' G' . . . . . 0.816 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.334 -9.939 2 C5'-C4'-O4' 149.913 29.081 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear build full ' B' B ' 211' ' ' ' A' . . . . . 0.529 ' C6 ' ' HB1' ' A' ' 25' ' ' ALA . . . . . . . . 1 O4'--C4' 1.405 -4.02 2 C5'-C4'-O4' 142.701 23.929 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 001 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . 0.601 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.11 -28.623 1 C1'-O4'-C4' 120.401 12.001 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 001 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.64 ' C5 ' ' N2 ' ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.316 -11.376 2 C5'-C4'-O4' 123.739 10.385 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear build full ' B' B ' 214' ' ' ' C' . . . . . 0.568 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.314 -11.544 2 C5'-C4'-O4' 126.155 12.111 . 0.577 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 215' ' ' ' U' . . . . . 0.475 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.191 -21.823 2 C1'-O4'-C4' 117.811 9.124 . 0.056 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 216' ' ' ' A' . . . . . 0.503 ' C6 ' ' C6 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.287 -13.817 2 C1'-O4'-C4' 116.486 7.651 . 0.043 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.537 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.305 -12.309 3 C5'-C4'-O4' 129.158 14.256 . 0.077 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 218' ' ' ' U' . . . . . 0.537 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.35 -8.607 3 C1'-O4'-C4' 118.282 9.646 . 0.119 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.515 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.363 -7.522 2 C1'-O4'-C4' 118.451 9.835 . 0.707 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 220' ' ' ' C' . . . . . 0.492 ' N4 ' ' C4 ' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.399 -4.52 2 C1'-O4'-C4' 117.851 9.168 . 0.13 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.494 0.187 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.403 ' O ' ' CB ' ' A' ' 3' ' ' LYS . 1.5 tt0 77.18 106.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.403 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 0.3 OUTLIER 82.19 68.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.52 -25.05 57.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.493 1.12 . . . . 0.0 111.036 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -57.26 -20.29 26.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 0.789 . . . . 0.0 109.25 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -60.99 -15.46 31.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 111.074 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.6 ptt85 -61.72 -12.47 16.76 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.929 ' ND2' HG11 ' A' ' 13' ' ' VAL . 21.3 p-10 -57.19 -20.82 29.01 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.464 1.102 . . . . 0.0 109.346 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.468 ' HA ' HG22 ' A' ' 13' ' ' VAL . 5.2 mt-30 -60.94 -13.09 13.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.274 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.3 -5.05 29.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.172 . . . . 0.0 110.263 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 12' ' ' THR . 15.6 ttpp -126.24 38.06 4.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.258 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.774 ' O ' HG23 ' A' ' 12' ' ' THR . 3.3 t 35.99 48.17 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 110.423 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.929 HG11 ' ND2' ' A' ' 8' ' ' ASN . 8.9 m -37.99 154.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.24 138.37 40.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.412 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 42.4 t -76.64 112.68 13.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 108.285 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.738 ' CE1' " H4'" ' B' ' 210' ' ' ' G' . 5.6 m-85 -76.0 4.28 8.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -97.03 -63.98 1.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.442 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 25.5 p -86.62 -41.34 14.33 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.533 1.146 . . . . 0.0 108.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.538 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 104.72 29.01 5.46 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.037 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.33 -173.39 2.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 0.787 . . . . 0.0 109.352 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -133.23 121.41 22.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.43 -10.23 3.78 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.6 p-80 -158.71 156.89 30.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 0.771 . . . . 0.0 109.546 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.78 HG21 HD21 ' A' ' 8' ' ' ASN . 18.8 pt -106.9 161.96 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.529 ' HB1' ' C6 ' ' B' ' 211' ' ' ' A' . . . -49.83 -35.74 24.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.414 ' HA ' ' NH2' ' A' ' 32' ' ' ARG . 5.5 mmmt -59.93 -44.43 94.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.423 1.077 . . . . 0.0 109.279 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -96.81 12.82 30.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.463 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 46.2 t -85.01 135.3 34.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 108.254 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.66 -32.31 62.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.322 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.88 153.99 50.93 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 152.83 41.55 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 111.043 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.414 ' NH2' ' HA ' ' A' ' 26' ' ' LYS . 2.5 mpt_? -55.06 106.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -134.54 -176.69 4.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -144.36 51.76 1.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.445 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -90.7 118.68 5.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.577 1.173 . . . . 0.0 111.057 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.432 ' C ' ' H ' ' A' ' 38' ' ' LYS . 11.5 t -55.74 120.4 7.24 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.816 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -83.7 39.46 0.68 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 0.0 107.999 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.445 ' CG ' ' SD ' ' A' ' 46' ' ' MET . 1.5 tmtm? -133.83 -49.14 0.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.556 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 12.6 p -109.64 -32.07 7.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 108.286 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.19 22.63 19.29 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.438 1.086 . . . . 0.0 111.063 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.528 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 9.2 tttt -94.44 128.35 40.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 0.751 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.445 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.4 OUTLIER -87.74 113.12 23.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.08 . . . . 0.0 110.268 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 149.61 -53.26 0.51 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.556 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 23.3 p-80 -96.97 179.83 4.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.58 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.57 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -129.46 164.57 23.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.553 ' HG3' ' CE3' ' A' ' 37' ' ' TRP . 0.1 OUTLIER -51.35 -46.03 62.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 111.022 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp -54.93 -33.32 62.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.82 34.01 5.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.457 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 36.6 t -57.58 110.89 0.96 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 0.0 108.296 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.1 t -80.3 4.4 17.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.434 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.79 -70.35 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -138.53 171.1 14.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.407 1.067 . . . . 0.0 110.239 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -54.46 170.85 0.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.426 1.079 . . . . 0.0 110.34 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -104.34 76.39 1.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.581 1.175 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.3 p30 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.163 2 C1'-O4'-C4' 117.588 8.876 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.39 -5.226 2 C1'-O4'-C4' 117.736 9.04 . 0.182 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' B' B ' 203' ' ' ' A' . . . . . 0.645 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.32 -11.067 2 C1'-O4'-C4' 119.212 10.68 . 0.541 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 204' ' ' ' C' . . . . . 0.645 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.403 -4.18 2 C1'-O4'-C4' 116.905 8.117 . 0.606 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 205' ' ' ' U' . . . . . 0.505 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.211 -20.191 1 C1'-O4'-C4' 119.698 11.22 . 0.256 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 206' ' ' ' A' . . . . . 0.569 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.264 -15.785 3 C5'-C4'-O4' 126.274 12.196 . 0.081 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 207' ' ' ' G' . . . . . 0.569 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.28 -14.446 3 C5'-C4'-O4' 125.691 11.779 . 0.013 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 208' ' ' ' C' . . . . . 0.486 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.394 -4.956 3 C1'-O4'-C4' 117.287 8.541 . 0.07 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.652 ' N1 ' ' C6 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.401 -4.361 3 C5'-C4'-O4' 142.703 23.931 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 002 nuclear build full ' B' B ' 210' ' ' ' G' . . . . . 0.84 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.371 -6.809 2 C5'-C4'-O4' 151.106 29.933 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear build full ' B' B ' 211' ' ' ' A' . . . . . 0.689 " H4'" ' CE2' ' A' ' 16' ' ' PHE . . . . . . . . 0 O4'--C4' 1.405 -3.976 2 C5'-C4'-O4' 139.471 21.622 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . 0.6 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.4 -4.404 3 C5'-C4'-O4' 93.932 -10.906 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.652 ' C6 ' ' N1 ' ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.289 -13.657 2 C1'-O4'-C4' 119.036 10.485 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 002 nuclear build full ' B' B ' 214' ' ' ' C' . . . . . 0.55 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.403 -4.165 3 C5'-C4'-O4' 120.71 8.222 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear build full ' B' B ' 215' ' ' ' U' . . . . . 0.54 ' O4 ' ' C4 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.182 -22.587 2 C5'-C4'-O4' 143.336 24.383 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear build full ' B' B ' 216' ' ' ' A' . . . . . 0.451 " H2'" " O4'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.294 -13.22 3 C5'-C4'-O4' 123.97 10.55 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.545 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.4 -4.41 3 O4'-C4'-C3' 92.905 -8.996 . 0.023 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 218' ' ' ' U' . . . . . 0.545 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.4 -4.42 2 O4'-C4'-C3' 93.349 -8.679 . 0.325 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.504 ' C6 ' " H2'" ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.38 -6.107 2 C1'-O4'-C4' 117.529 8.81 . 0.154 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.447 3 C1'-O4'-C4' 117.375 8.639 . 0.075 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.478 ' O ' ' C ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.51 0.195 . . . . 0.0 111.023 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.478 ' C ' ' O ' ' A' ' 1' ' ' MET . 13.5 pt20 32.33 55.88 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -178.61 68.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.403 ' O ' ' CZ ' ' A' ' 7' ' ' ARG . . . -58.81 -26.67 60.72 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.555 1.159 . . . . 0.0 110.962 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -61.44 -14.89 32.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 0.744 . . . . 0.0 109.244 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -59.85 -14.21 14.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.421 ' HB3' ' NH2' ' A' ' 10' ' ' ARG . 85.7 mtm-85 -61.25 -11.92 11.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.925 ' ND2' HG11 ' A' ' 13' ' ' VAL . 25.9 p-10 -56.66 -19.94 18.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.427 ' HA ' HG22 ' A' ' 13' ' ' VAL . 22.4 mt-30 -61.6 -12.84 17.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.452 ' NH1' ' OP2' ' B' ' 205' ' ' ' U' . 0.0 OUTLIER -65.69 -15.6 62.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 12' ' ' THR . 10.2 ttmm -117.05 35.14 4.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.764 ' O ' HG23 ' A' ' 12' ' ' THR . 4.5 t 36.69 49.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.405 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.925 HG11 ' ND2' ' A' ' 8' ' ' ASN . 9.1 m -37.17 154.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.37 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.11 140.85 37.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.352 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.407 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 42.0 t -75.74 115.79 15.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 108.371 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.689 ' CE2' " H4'" ' B' ' 211' ' ' ' A' . 7.2 m-85 -79.36 9.49 4.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.958 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -103.11 -58.94 1.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.469 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 25.3 p -92.72 -38.41 11.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 108.309 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.459 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 102.45 27.6 6.75 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.55 1.156 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -94.31 -173.94 3.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 0.779 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -134.16 119.94 19.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.79 -8.62 4.23 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.5 p-80 -156.76 157.73 35.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 109.549 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.683 HG21 HD21 ' A' ' 8' ' ' ASN . 14.3 pt -108.43 158.65 8.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.472 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -49.09 -35.62 16.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.412 ' HB2' HD11 ' A' ' 24' ' ' ILE . 13.2 mmmt -59.56 -45.7 91.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -94.76 11.22 32.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.472 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 48.2 t -83.49 129.58 34.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 108.334 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -71.86 -30.33 65.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 110.379 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.44 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . . . -57.61 159.25 9.76 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 144.31 29.9 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.622 1.854 . . . . 0.0 110.946 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.5 mmm-85 -57.03 108.32 0.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.17 . . . . 0.0 110.301 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -141.83 -175.12 4.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -138.76 48.94 1.89 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.514 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -82.74 116.81 4.28 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.475 1.11 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.444 ' C ' ' H ' ' A' ' 38' ' ' LYS . 26.1 t -54.95 122.61 11.25 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.84 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -84.21 36.23 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -132.78 -49.42 0.89 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.155 . . . . 0.0 109.331 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.544 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.0 p -110.29 -30.9 7.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 108.28 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.59 22.41 24.05 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -99.02 119.37 37.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.514 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 13.0 pt-20 -79.73 121.99 26.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.37 -51.12 0.64 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.491 1.12 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.544 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 25.8 p-80 -99.39 -177.44 3.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 0.766 . . . . 0.0 109.642 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.538 ' HB3' ' C8 ' ' B' ' 210' ' ' ' G' . 3.7 mt-30 -126.79 154.76 43.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.1 ttp -50.56 -39.95 50.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.57 -39.63 77.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -111.5 32.08 5.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.447 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.6 t -45.31 111.8 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 108.33 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.7 p -75.23 -1.17 22.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.343 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -93.14 -60.62 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 110.251 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 50.77 54.97 10.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.168 . . . . 0.0 110.363 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.415 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 17.0 tt0 -179.61 61.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 53' ' ' GLN . . . 179.76 176.65 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.249 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.7 p30 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.92 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.391 -5.142 2 C1'-O4'-C4' 117.975 9.306 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.405 3 C1'-O4'-C4' 117.885 9.206 . 0.249 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 203' ' ' ' A' . . . . . 0.618 " H2'" ' C6 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.269 -15.31 3 C1'-O4'-C4' 119.216 10.684 . 0.153 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B ' 204' ' ' ' C' . . . . . 0.618 ' C6 ' " H2'" ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.354 -8.266 3 C1'-O4'-C4' 118.462 9.846 . 0.173 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B ' 205' ' ' ' U' . . . . . 0.498 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.203 -20.825 1 C1'-O4'-C4' 119.216 10.684 . 0.155 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B ' 206' ' ' ' A' . . . . . 0.636 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.218 -19.598 2 C5'-C4'-O4' 128.522 13.802 . 0.05 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B ' 207' ' ' ' G' . . . . . 0.636 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.279 -14.462 3 C5'-C4'-O4' 127.7 13.214 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear build full ' B' B ' 208' ' ' ' C' . . . . . 0.53 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.365 -7.371 3 C1'-O4'-C4' 117.95 9.277 . 0.013 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.595 ' N2 ' ' C5 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.367 -7.138 2 C1'-O4'-C4' 117.393 8.658 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear build full ' B' B ' 210' ' ' ' G' . . . . . 0.83 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.081 -30.961 1 C1'-O4'-C4' 122.865 14.739 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 003 nuclear build full ' B' B ' 211' ' ' ' A' . . . . . 0.548 " H5'" ' CE2' ' A' ' 16' ' ' PHE . . . . . . . . 1 O4'--C4' 1.39 -5.227 2 C5'-C4'-O4' 143.914 24.796 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 5 4 . 1 . 003 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . 0.621 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.082 -30.878 1 C1'-O4'-C4' 122.959 14.843 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 003 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.595 ' C5 ' ' N2 ' ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.23 -18.579 2 C5'-C4'-O4' 139.06 21.328 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear build full ' B' B ' 214' ' ' ' C' . . . . . 0.589 ' C4 ' ' O4 ' ' B' ' 215' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.384 -5.726 2 C5'-C4'-O4' 140.35 22.25 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 003 nuclear build full ' B' B ' 215' ' ' ' U' . . . . . 0.604 " H2'" ' C8 ' ' B' ' 216' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.124 -27.426 2 C5'-C4'-O4' 139.955 21.968 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear build full ' B' B ' 216' ' ' ' A' . . . . . 0.604 ' C8 ' " H2'" ' B' ' 215' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.297 -13.04 2 C1'-O4'-C4' 116.461 7.623 . 0.482 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.539 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.362 -7.565 3 C5'-C4'-O4' 127.304 12.931 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear build full ' B' B ' 218' ' ' ' U' . . . . . 0.539 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.306 -12.215 3 C1'-O4'-C4' 119.223 10.692 . 0.082 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.501 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.398 -4.606 3 C1'-O4'-C4' 117.307 8.564 . 0.276 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.396 -4.728 2 C1'-O4'-C4' 117.859 9.176 . 0.098 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 CA-C-O 120.551 0.215 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -86.26 153.2 22.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.251 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm 71.61 59.53 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.62 -16.95 47.17 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -56.62 -23.49 41.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 0.729 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.725 ' CE1' ' ND2' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -58.58 -13.85 6.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 111.048 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -60.09 -10.15 4.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.933 ' ND2' HG11 ' A' ' 13' ' ' VAL . 22.2 p-10 -56.02 -24.4 38.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.359 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.568 ' HA ' HG22 ' A' ' 13' ' ' VAL . 32.7 mt-30 -59.24 -13.75 8.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.9 ptm85 -67.53 -8.71 36.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 11' ' ' LYS . 11.1 tttp -123.65 38.73 4.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.778 ' O ' HG23 ' A' ' 12' ' ' THR . 2.6 t 36.34 48.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.584 1.178 . . . . 0.0 110.389 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.933 HG11 ' ND2' ' A' ' 8' ' ' ASN . 6.4 m -37.63 154.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -102.64 140.23 37.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.5 t -80.81 109.69 15.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 1.176 . . . . 0.0 108.297 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.548 ' CE2' " H5'" ' B' ' 211' ' ' ' A' . 7.7 m-85 -73.65 -0.58 15.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -91.08 -67.49 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.369 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -81.69 -44.27 17.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.404 1.065 . . . . 0.0 108.301 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.531 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 107.35 30.47 4.11 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.75 -172.55 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -132.4 129.57 39.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 110.326 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.0 -0.86 6.7 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.5 p-80 -168.54 156.36 8.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.418 0.717 . . . . 0.0 109.651 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.716 HG21 HD21 ' A' ' 8' ' ' ASN . 12.9 pt -107.17 165.03 4.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.601 1.188 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.43 ' O ' ' NH2' ' A' ' 32' ' ' ARG . . . -49.36 -35.41 18.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.17 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.475 ' HB2' HD11 ' A' ' 24' ' ' ILE . 6.5 mmtt -60.29 -45.45 93.32 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.725 ' ND2' ' CE1' ' A' ' 6' ' ' PHE . 20.4 m120 -92.77 11.95 25.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.401 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 40.8 t -86.96 132.73 33.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 108.378 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 -75.76 -26.07 57.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 110.288 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.03 152.9 90.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 157.28 42.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.529 1.805 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.43 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -54.74 106.22 0.2 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.32 177.08 7.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.52 51.89 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.477 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -94.85 128.57 9.56 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.457 ' C ' ' H ' ' A' ' 38' ' ' LYS . 18.6 t -59.98 120.36 9.52 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.83 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -82.98 36.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.457 ' H ' ' C ' ' A' ' 36' ' ' CYS . 2.4 tmtp? -132.55 -49.58 0.91 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.559 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 9.1 p -110.28 -32.78 6.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 108.352 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.49 18.92 24.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.564 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -91.78 126.82 37.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.783 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.477 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 15.8 pt-20 -86.14 121.71 29.13 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.76 -47.59 0.91 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 11.5 p-80 -102.77 168.46 9.22 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.513 0.772 . . . . 0.0 109.556 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.577 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 0.1 OUTLIER -116.64 160.43 20.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.264 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.6 ttm -51.72 -40.11 59.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -56.6 -37.98 71.4 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.549 1.156 . . . . 0.0 109.367 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -111.69 29.92 7.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.42 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 25.9 t -45.35 115.84 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 108.271 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.423 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 42.5 p -60.55 -12.26 9.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.575 1.172 . . . . 0.0 110.42 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 50' ' ' THR . 3.6 mt-10 174.91 -92.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.585 1.178 . . . . 0.0 110.335 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER 168.56 178.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.228 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.429 ' CB ' ' HA ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER 177.89 144.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.78 114.29 21.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.083 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.5 t30 . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 179.94 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 201' ' ' ' G' . . . . . 0.629 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.399 -4.485 3 C5'-C4'-O4' 142.218 23.584 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . 0.629 ' C6 ' ' C6 ' ' B' ' 201' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.397 -4.672 2 C1'-O4'-C4' 117.965 9.294 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear build full ' B' B ' 203' ' ' ' A' . . . . . 0.671 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.353 -8.342 3 C1'-O4'-C4' 118.144 9.494 . 0.051 1m . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 204' ' ' ' C' . . . . . 0.671 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.079 -31.141 2 C5'-C4'-O4' 135.305 18.647 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear build full ' B' B ' 205' ' ' ' U' . . . . . 0.43 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.37 -6.909 2 C5'-C4'-O4' 141.313 22.938 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear build full ' B' B ' 206' ' ' ' A' . . . . . 0.558 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.184 -22.429 2 C5'-C4'-O4' 130.896 15.497 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear build full ' B' B ' 207' ' ' ' G' . . . . . 0.558 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.359 -7.869 3 C5'-C4'-O4' 120.881 8.344 . 0.139 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 208' ' ' ' C' . . . . . 0.462 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.302 -12.583 3 C1'-O4'-C4' 117.703 9.004 . 0.096 7a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.539 ' N2 ' ' C6 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.353 -8.356 2 C5'-C4'-O4' 129.681 14.629 . 0.231 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 210' ' ' ' G' . . . . . 0.806 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.076 -31.449 1 C1'-O4'-C4' 123.395 15.328 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 7r' 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear build full ' B' B ' 211' ' ' ' A' . . . . . 0.539 " H5'" ' CE2' ' A' ' 16' ' ' PHE . . . . . . . . 1 O4'--C4' 1.288 -13.783 2 C5'-C4'-O4' 132.217 16.441 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . 0.561 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.12 -27.774 1 C1'-O4'-C4' 121.563 13.292 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.584 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.208 -20.455 2 C5'-C4'-O4' 138.473 20.91 . 0.054 9a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 214' ' ' ' C' . . . . . 0.584 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.39 -5.215 2 C5'-C4'-O4' 137.387 20.134 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear build full ' B' B ' 215' ' ' ' U' . . . . . 0.525 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.113 -28.371 1 C1'-O4'-C4' 122.341 14.156 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear build full ' B' B ' 216' ' ' ' A' . . . . . 0.5 ' C6 ' ' C6 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.326 -10.563 3 O4'-C4'-C3' 95.334 -7.261 . 0.241 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.525 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.399 -4.501 3 C5'-C4'-O4' 125.182 11.416 . 0.028 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 218' ' ' ' U' . . . . . 0.525 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.401 -4.355 2 O4'-C4'-C3' 93.94 -8.257 . 0.183 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.489 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.378 -6.25 3 C1'-O4'-C4' 118.19 9.544 . 0.177 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 220' ' ' ' C' . . . . . 0.473 ' N4 ' ' C4 ' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.4 -4.395 2 C1'-O4'-C4' 117.802 9.114 . 0.072 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.449 0.166 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -66.07 175.7 1.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.249 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 77.36 64.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.36 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.78 -26.82 60.86 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.448 1.093 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -59.52 -17.32 31.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 0.794 . . . . 0.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -59.94 -14.71 17.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.488 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -59.62 -14.51 13.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.932 ' ND2' HG11 ' A' ' 13' ' ' VAL . 30.4 p-10 -57.72 -36.73 72.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.424 ' N ' ' OD1' ' A' ' 8' ' ' ASN . 65.6 mt-30 -59.21 -11.67 4.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.488 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 8.8 ptt85 -55.61 -17.39 5.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 110.198 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.468 ' O ' ' HB ' ' A' ' 12' ' ' THR . 12.1 ttpp -108.82 -85.84 0.52 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.805 ' O ' HG23 ' A' ' 12' ' ' THR . 1.2 t -179.85 45.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.377 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.932 HG11 ' ND2' ' A' ' 8' ' ' ASN . 11.2 m -40.15 154.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.39 143.46 32.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.401 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 43.8 t -83.29 111.81 19.32 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.536 1.147 . . . . 0.0 108.333 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.539 ' CE2' " H5'" ' B' ' 211' ' ' ' A' . 16.6 m-85 -75.76 3.11 10.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -94.96 -61.96 1.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 26.1 p -88.99 -43.86 10.83 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.503 1.127 . . . . 0.0 108.338 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.531 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 107.9 30.36 4.0 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.98 -174.52 2.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -132.91 118.28 18.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.4 -26.93 2.27 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.3 p-80 -140.32 158.54 43.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.572 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.756 HG21 HD21 ' A' ' 8' ' ' ASN . 15.4 pt -107.86 161.11 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.738 ' HB1' HH21 ' A' ' 32' ' ' ARG . . . -49.63 -36.62 25.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -59.59 -43.89 93.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -97.38 12.21 33.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.477 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 46.7 t -84.01 135.44 34.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.42 -32.55 60.76 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.57 1.169 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.01 156.48 13.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 109.326 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.12 154.12 41.71 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.494 1.786 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.738 HH21 ' HB1' ' A' ' 25' ' ' ALA . 7.9 mmp_? -56.67 104.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -136.91 -175.94 4.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.0 tttm -147.93 54.64 1.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.257 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.521 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -90.71 133.25 11.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.46 ' C ' ' H ' ' A' ' 38' ' ' LYS . 39.8 t -61.93 123.95 19.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.806 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -83.77 32.5 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 108.07 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.46 ' H ' ' C ' ' A' ' 36' ' ' CYS . 1.3 tptt -131.61 -49.03 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.53 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 12.9 p -110.83 -33.29 6.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 108.272 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.39 22.13 17.72 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.486 1.117 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.524 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 1.2 tptt -94.75 123.41 38.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.521 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -82.57 121.19 26.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.36 -48.64 0.82 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.53 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 14.9 p-80 -102.54 169.32 8.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 109.619 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.578 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 0.1 OUTLIER -116.98 156.23 27.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.281 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.433 ' HG3' ' N7 ' ' B' ' 210' ' ' ' G' . 3.2 ppp? -50.99 -32.03 19.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.536 1.148 . . . . 0.0 111.047 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.493 ' CE ' ' OP1' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -57.75 -42.12 83.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -110.83 27.81 9.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 32.5 t -43.27 111.93 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 108.309 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.0 p -76.48 0.04 21.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 110.395 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -121.8 62.71 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -124.42 152.34 43.37 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 110.316 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -167.35 60.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.25 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -40.47 -61.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.276 -14.777 2 C5'-C4'-O4' 134.681 18.201 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.392 -5.121 3 C1'-O4'-C4' 117.921 9.246 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 203' ' ' ' A' . . . . . 0.611 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.258 -16.258 3 C1'-O4'-C4' 119.011 10.457 . 0.26 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 204' ' ' ' C' . . . . . 0.611 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.269 -15.306 2 C1'-O4'-C4' 118.238 9.597 . 0.059 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 205' ' ' ' U' . . . . . 0.544 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.321 -10.984 2 C1'-O4'-C4' 117.262 8.514 . 0.186 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 206' ' ' ' A' . . . . . 0.565 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.277 -14.697 3 C5'-C4'-O4' 127.232 12.88 . 0.064 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 207' ' ' ' G' . . . . . 0.565 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.201 -21.037 2 C5'-C4'-O4' 130.875 15.482 . 0.013 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 208' ' ' ' C' . . . . . 0.515 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.367 -7.16 3 C1'-O4'-C4' 117.193 8.436 . 0.024 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.645 ' N2 ' ' C6 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.262 -15.919 3 C1'-O4'-C4' 118.833 10.259 . 0.866 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 210' ' ' ' G' . . . . . 0.798 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.088 -30.379 2 C1'-O4'-C4' 122.49 14.322 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 005 nuclear build full ' B' B ' 211' ' ' ' A' . . . . . 0.746 " H4'" ' CE2' ' A' ' 16' ' ' PHE . . . . . . . . 1 O4'--C4' 1.401 -4.371 3 C5'-C4'-O4' 146.527 26.662 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 5 4 . 1 . 005 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . 0.597 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.123 -27.487 2 C1'-O4'-C4' 120.315 11.906 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 005 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.645 ' C6 ' ' N2 ' ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.339 -9.534 2 C1'-O4'-C4' 115.279 6.309 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 005 nuclear build full ' B' B ' 214' ' ' ' C' . . . . . 0.593 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.364 -7.39 2 C5'-C4'-O4' 123.56 10.257 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 005 nuclear build full ' B' B ' 215' ' ' ' U' . . . . . 0.548 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.172 -23.401 2 C5'-C4'-O4' 135.46 18.757 . 0.096 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 216' ' ' ' A' . . . . . 0.45 " H2'" " O4'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.226 -18.881 2 C1'-O4'-C4' 117.027 8.252 . 0.02 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.534 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.4 -4.377 3 C5'-C4'-O4' 125.579 11.699 . 0.045 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 218' ' ' ' U' . . . . . 0.534 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.361 -7.628 3 C1'-O4'-C4' 118.228 9.587 . 0.043 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.493 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.357 -7.996 3 C1'-O4'-C4' 118.648 10.054 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 220' ' ' ' C' . . . . . 0.481 ' N4 ' ' C4 ' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.399 -4.464 2 C1'-O4'-C4' 117.789 9.098 . 0.091 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.8 mtt . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.445 0.164 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.465 ' NE2' ' OP1' ' B' ' 203' ' ' ' A' . 0.0 OUTLIER -43.04 -54.49 4.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.342 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.34 64.5 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.396 1.06 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.81 -26.08 59.91 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.569 1.168 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -59.72 -17.73 37.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 0.732 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.435 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 4.8 t80 -61.21 -16.84 49.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.417 ' HB2' ' NH1' ' A' ' 7' ' ' ARG . 8.2 mtm105 -60.69 -13.06 12.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.254 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.916 ' ND2' HG11 ' A' ' 13' ' ' VAL . 20.2 p-10 -56.41 -18.78 12.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.388 1.055 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.407 ' HA ' HG22 ' A' ' 13' ' ' VAL . 17.8 mt-30 -61.82 -11.9 14.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.459 ' CZ ' ' P ' ' B' ' 205' ' ' ' U' . 3.5 ptm85 -78.06 1.84 19.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.263 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.47 ' HZ1' ' H5 ' ' B' ' 208' ' ' ' C' . 9.5 ttpp -130.11 38.33 3.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.772 ' O ' HG23 ' A' ' 12' ' ' THR . 3.1 t 35.6 47.79 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.573 1.171 . . . . 0.0 110.451 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.916 HG11 ' ND2' ' A' ' 8' ' ' ASN . 10.7 m -40.07 154.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.23 137.44 45.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.587 1.18 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 23' ' ' HIS . 44.3 t -77.83 112.61 14.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 108.277 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.746 ' CE2' " H4'" ' B' ' 211' ' ' ' A' . 25.4 m-85 -76.85 6.47 6.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -99.43 -57.78 2.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 37' ' ' TRP . 28.3 p -94.96 -43.39 8.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 108.244 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.501 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 105.95 31.61 4.1 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.428 1.08 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -117.2 141.48 48.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 109.338 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.79 146.4 27.38 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.28 -27.45 5.81 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 110.951 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' A' ' 15' ' ' CYS . 21.1 p-80 -147.27 157.74 43.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 0.773 . . . . 0.0 109.59 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.835 HG21 HD21 ' A' ' 8' ' ' ASN . 15.8 pt -107.19 159.6 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.449 ' O ' ' NH2' ' A' ' 32' ' ' ARG . . . -46.58 -37.12 7.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -59.87 -47.84 84.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.249 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -91.41 12.07 21.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.414 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 48.4 t -83.59 137.07 33.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 108.283 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -29.69 39.43 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.436 1.085 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.08 155.7 42.83 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.234 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 157.14 43.15 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.507 1.793 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.449 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 6.4 mmp_? -57.38 105.91 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -134.44 -176.92 4.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -149.62 54.66 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.476 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -94.4 129.95 10.1 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.582 1.176 . . . . 0.0 111.015 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.443 ' C ' ' H ' ' A' ' 38' ' ' LYS . 42.0 t -61.08 120.46 10.33 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.798 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -83.95 32.71 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.443 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -129.69 -48.49 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.252 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.547 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 9.3 p -110.06 -33.19 6.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.08 . . . . 0.0 108.266 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.7 19.69 24.07 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.531 1.144 . . . . 0.0 111.063 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.577 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 1.0 OUTLIER -92.89 126.12 37.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.76 . . . . 0.0 109.246 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.476 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 4.5 pt-20 -86.48 121.29 28.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.147 . . . . 0.0 110.366 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.96 -47.35 0.92 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.461 1.1 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.577 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 11.1 p-80 -102.9 176.34 5.18 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.423 0.719 . . . . 0.0 109.536 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.581 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 0.2 OUTLIER -127.2 156.2 42.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.438 1.086 . . . . 0.0 110.253 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.8 ttp -50.62 -42.69 56.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.6 ttpp -56.75 -37.59 71.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.103 . . . . 0.0 109.316 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.81 34.77 4.77 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.517 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 37.8 t -52.7 112.32 0.81 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.581 1.175 . . . . 0.0 108.286 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.0 t -85.34 4.19 36.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 0.0 110.417 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -84.26 -60.88 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.28 98.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.432 1.083 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.567 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -170.55 -54.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.594 1.184 . . . . 0.0 110.329 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 53' ' ' GLN . . . 74.79 -61.53 0.48 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.4 t30 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 201' ' ' ' G' . . . . . 0.639 ' N7 ' ' C5 ' ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.385 -5.661 3 C1'-O4'-C4' 118.087 9.43 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . 0.639 ' C5 ' ' N7 ' ' B' ' 201' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.372 -6.727 2 C1'-O4'-C4' 118.218 9.576 . 0.016 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 203' ' ' ' A' . . . . . 0.62 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.318 -11.216 3 C1'-O4'-C4' 118.692 10.102 . 0.099 1m . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 204' ' ' ' C' . . . . . 0.62 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.376 -6.392 2 C1'-O4'-C4' 117.47 8.744 . 0.25 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 205' ' ' ' U' . . . . . 0.494 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.369 -6.983 3 C5'-C4'-O4' 92.813 -11.705 . 0.18 7a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 206' ' ' ' A' . . . . . 0.467 " H2'" " O4'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.18 -22.76 2 C5'-C4'-O4' 132.012 16.294 . 0.125 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 207' ' ' ' G' . . . . . 0.512 " H2'" ' C6 ' ' B' ' 208' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.291 -13.48 3 C5'-C4'-O4' 131.156 15.683 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 006 nuclear build full ' B' B ' 208' ' ' ' C' . . . . . 0.512 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.215 -19.796 1 C1'-O4'-C4' 119.561 11.068 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 4 3 . 1 . 006 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.609 ' N2 ' ' C5 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.4 -4.383 3 C5'-C4'-O4' 138.911 21.222 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 006 nuclear build full ' B' B ' 210' ' ' ' G' . . . . . 0.816 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.081 -30.976 2 C1'-O4'-C4' 123.041 14.935 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 006 nuclear build full ' B' B ' 211' ' ' ' A' . . . . . 0.534 " H5'" ' CE2' ' A' ' 16' ' ' PHE . . . . . . . . 1 O4'--C4' 1.332 -10.056 2 C5'-C4'-O4' 136.54 19.528 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 5 4 . 1 . 006 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . 0.561 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.103 -29.185 1 C1'-O4'-C4' 120.992 12.657 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 006 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.621 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.327 -10.507 2 C1'-O4'-C4' 115.889 6.988 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 006 nuclear build full ' B' B ' 214' ' ' ' C' . . . . . 0.621 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.317 -11.296 2 C1'-O4'-C4' 118.651 10.057 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 006 nuclear build full ' B' B ' 215' ' ' ' U' . . . . . 0.572 " H2'" ' C8 ' ' B' ' 216' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.121 -27.675 1 C1'-O4'-C4' 120.592 12.213 . 0.257 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 216' ' ' ' A' . . . . . 0.574 " H2'" ' C8 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.272 -15.108 2 C1'-O4'-C4' 116.724 7.916 . 0.01 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.574 ' C8 ' " H2'" ' B' ' 216' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.401 -4.342 2 O4'-C4'-C3' 93.172 -8.806 . 0.22 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 218' ' ' ' U' . . . . . 0.525 " H2'" ' C6 ' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.401 -4.363 3 O4'-C4'-C3' 93.154 -8.819 . 0.415 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.525 ' C6 ' " H2'" ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.286 -13.93 2 C1'-O4'-C4' 119.772 11.302 . 0.055 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 220' ' ' ' C' . . . . . 0.449 ' N4 ' ' C4 ' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.382 -5.914 3 C1'-O4'-C4' 117.638 8.931 . 0.118 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.558 0.218 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.408 ' O ' ' CB ' ' A' ' 3' ' ' LYS . 47.5 mm-40 60.22 151.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.283 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.408 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 0.3 OUTLIER 81.46 67.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.231 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.99 -22.84 56.07 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.555 1.159 . . . . 0.0 111.086 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -59.23 -28.28 66.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 0.794 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.523 ' CE1' ' ND2' ' A' ' 27' ' ' ASN . 54.8 t80 -60.29 -15.58 26.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.503 ' CZ ' ' OP1' ' B' ' 204' ' ' ' C' . 1.4 mtt85 -60.22 -13.07 10.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.9 ' ND2' HG11 ' A' ' 13' ' ' VAL . 10.8 p-10 -56.16 -17.6 7.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.645 ' HA ' HG22 ' A' ' 13' ' ' VAL . 2.2 mt-30 -58.01 -15.32 8.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -61.0 -12.88 12.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 110.332 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.6 tttp -120.62 37.92 4.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.751 ' O ' HG23 ' A' ' 12' ' ' THR . 3.9 t 37.75 48.0 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.397 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.9 HG11 ' ND2' ' A' ' 8' ' ' ASN . 14.4 m -38.75 156.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.34 135.73 48.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.417 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 41.8 t -75.52 112.04 11.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 108.257 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.54 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 33.6 m-85 -76.92 6.66 5.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -98.1 -58.33 2.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.434 ' O ' ' HB3' ' A' ' 37' ' ' TRP . 28.2 p -95.9 -42.08 8.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.083 . . . . 0.0 108.292 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.505 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 106.28 29.76 4.69 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.94 139.3 48.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 0.783 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.33 139.7 30.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.335 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.77 9.31 8.39 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.411 1.069 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -176.3 159.4 2.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 0.793 . . . . 0.0 109.581 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.784 HG21 HD21 ' A' ' 8' ' ' ASN . 5.8 pt -112.39 157.67 13.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.469 ' HB3' ' C2 ' ' B' ' 211' ' ' ' A' . . . -49.76 -37.88 31.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.56 ' HB2' HD11 ' A' ' 24' ' ' ILE . 15.2 mmmt -58.64 -44.0 89.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.523 ' ND2' ' CE1' ' A' ' 6' ' ' PHE . 5.6 m120 -91.94 2.52 56.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.376 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.454 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 49.4 t -77.08 131.55 38.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 108.317 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.38 -27.27 60.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 110.303 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.44 156.58 41.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 157.15 43.2 Favored 'Trans proline' 0 C--N 1.358 1.066 0 O-C-N 124.567 1.825 . . . . 0.0 111.015 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.461 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 7.2 mmp_? -59.06 104.58 0.25 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.99 -177.77 4.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.6 pttt -147.97 53.73 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.502 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -91.51 129.29 9.74 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.447 1.092 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.465 ' C ' ' H ' ' A' ' 38' ' ' LYS . 16.8 t -61.82 119.05 8.02 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.816 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -82.34 37.27 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 107.997 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -132.24 -49.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.349 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.528 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.9 p -110.61 -32.49 6.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 108.33 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.72 20.71 18.39 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.436 1.085 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 1.1 tmtp? -93.79 125.63 38.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 0.777 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.502 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 8.3 pt-20 -85.61 119.86 26.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.254 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.16 -48.77 0.8 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.616 ' CE1' HG22 ' A' ' 50' ' ' THR . 13.9 p-80 -101.7 172.88 6.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.764 . . . . 0.0 109.588 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.587 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -122.27 159.08 28.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 110.249 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.2 tmm? -50.19 -36.73 31.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.169 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -56.72 -41.68 77.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -112.4 29.96 7.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.496 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 37.8 t -42.42 112.36 0.34 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 108.334 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.616 HG22 ' CE1' ' A' ' 44' ' ' HIS . 12.4 t -83.0 1.45 39.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.419 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 50' ' ' THR . 9.7 pt-20 38.47 65.6 0.6 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.61 143.62 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.469 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -144.12 63.16 1.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -139.62 171.26 14.5 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 109.265 -179.941 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.412 2 C1'-O4'-C4' 117.792 9.103 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.398 -4.564 3 C1'-O4'-C4' 117.759 9.065 . 0.39 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' B' B ' 203' ' ' ' A' . . . . . 0.628 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.373 -6.659 2 C1'-O4'-C4' 117.726 9.028 . 0.249 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 204' ' ' ' C' . . . . . 0.628 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.337 -9.625 2 C1'-O4'-C4' 118.581 9.979 . 0.782 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 205' ' ' ' U' . . . . . 0.56 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.246 -17.246 3 C1'-O4'-C4' 119.436 10.929 . 0.17 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 206' ' ' ' A' . . . . . 0.494 " H2'" " O4'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.239 -17.815 2 C5'-C4'-O4' 130.437 15.169 . 0.108 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 207' ' ' ' G' . . . . . 0.5 " H2'" ' C6 ' ' B' ' 208' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.395 -4.856 3 C5'-C4'-O4' 136.102 19.216 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 007 nuclear build full ' B' B ' 208' ' ' ' C' . . . . . 0.5 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.092 -30.095 2 C5'-C4'-O4' 135.018 18.442 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.48 H5'' " C3'" ' B' ' 208' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.359 -7.862 1 C1'-O4'-C4' 116.414 7.571 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear build full ' B' B ' 210' ' ' ' G' . . . . . 0.808 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.362 -7.587 2 C5'-C4'-O4' 150.298 29.356 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 007 nuclear build full ' B' B ' 211' ' ' ' A' . . . . . 0.474 " H4'" ' CE2' ' A' ' 16' ' ' PHE . . . . . . . . 1 O4'--C4' 1.404 -4.062 1 C5'-C4'-O4' 138.586 20.99 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 007 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . 0.592 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.337 -9.656 2 C1'-O4'-C4' 117.362 8.624 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.622 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.265 -15.695 2 C1'-O4'-C4' 118.115 9.461 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 007 nuclear build full ' B' B ' 214' ' ' ' C' . . . . . 0.622 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.401 -4.316 3 C1'-O4'-C4' 117.724 9.026 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear build full ' B' B ' 215' ' ' ' U' . . . . . 0.553 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.159 -24.5 2 C1'-O4'-C4' 121.983 13.758 . 0.059 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 216' ' ' ' A' . . . . . 0.47 " H2'" " O4'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.278 -14.594 3 C1'-O4'-C4' 116.356 7.506 . 0.13 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.546 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.401 -4.369 3 C5'-C4'-O4' 128.488 13.777 OUTLIER-DELTA 0.01 1L . 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear build full ' B' B ' 218' ' ' ' U' . . . . . 0.546 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.285 -13.966 3 C1'-O4'-C4' 118.893 10.326 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.519 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.4 -4.405 3 O4'-C4'-C3' 93.363 -8.669 . 0.194 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.399 -4.462 3 C5'-C4'-O4' 92.418 -11.987 . 0.016 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 2' ' ' GLN . 4.5 mtm . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.508 0.194 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 1' ' ' MET . 34.6 mt-30 -38.99 151.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.506 1.128 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 77.55 64.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.93 -22.94 55.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.541 1.151 . . . . 0.0 111.019 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -59.07 -21.24 58.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 0.747 . . . . 0.0 109.253 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -60.49 -15.83 30.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.485 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 7.8 ptm180 -59.68 -13.44 9.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.936 ' ND2' HG11 ' A' ' 13' ' ' VAL . 25.0 p-10 -57.46 -36.47 71.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.475 ' HG2' ' CG2' ' A' ' 13' ' ' VAL . 62.0 mt-30 -59.02 -11.13 3.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 110.346 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 9.2 ptt85 -56.45 -16.8 6.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.337 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.486 ' O ' ' HB ' ' A' ' 12' ' ' THR . 13.1 ttpp -109.08 -84.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.806 ' O ' HG23 ' A' ' 12' ' ' THR . 1.3 t 179.31 45.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.371 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.936 HG11 ' ND2' ' A' ' 8' ' ' ASN . 13.8 m -41.13 154.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.23 136.32 44.05 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.475 1.109 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.8 t -73.32 113.9 10.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 108.284 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.532 ' CD1' " O4'" ' B' ' 210' ' ' ' G' . 11.0 m-85 -77.9 6.09 8.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -98.26 -58.83 1.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -92.57 -42.14 9.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.588 1.18 . . . . 0.0 108.289 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.77 29.46 4.66 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -99.72 -171.71 2.11 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 0.747 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -134.8 126.52 29.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.268 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.56 -1.28 6.45 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.477 1.11 . . . . 0.0 110.973 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -164.51 157.62 17.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 0.767 . . . . 0.0 109.626 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.768 HG21 HD21 ' A' ' 8' ' ' ASN . 12.6 pt -109.0 160.85 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.2 -37.55 16.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.405 ' HB2' HD11 ' A' ' 24' ' ' ILE . 8.0 mmmt -60.45 -45.51 93.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -93.41 13.92 20.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.1 t -85.64 133.41 34.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 108.253 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -31.22 63.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.261 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.35 158.62 36.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 149.84 37.31 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.422 1.748 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.3 mmm-85 -58.6 108.68 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.34 -175.51 3.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -145.87 52.41 1.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.441 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -95.97 125.59 8.47 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.588 1.18 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.443 ' HA ' ' O6 ' ' B' ' 210' ' ' ' G' . 29.4 t -61.67 118.84 7.62 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.808 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -85.12 36.51 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.426 ' H ' ' C ' ' A' ' 36' ' ' CYS . 4.3 tptt -130.63 -48.47 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.546 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 14.1 p -109.56 -31.53 7.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 108.301 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.38 22.87 20.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.117 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.535 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.4 OUTLIER -97.34 126.84 42.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 0.764 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.441 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 12.9 pt-20 -86.9 124.07 32.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 110.317 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.57 -46.07 1.04 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.546 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 13.8 p-80 -105.09 178.05 4.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 0.757 . . . . 0.0 109.631 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.575 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 3.2 pt20 -129.81 158.89 38.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.244 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -51.64 -43.56 62.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -55.6 -34.46 64.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -120.05 37.29 4.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.511 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 35.3 t -56.94 111.6 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 108.264 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.8 t -79.21 3.09 18.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 110.396 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -95.6 -59.06 1.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 110.264 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.07 96.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.366 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -140.12 -59.08 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.335 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 64.25 167.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.256 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 201' ' ' ' G' . . . . . 0.473 " H2'" ' C8 ' ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.4 -4.426 3 C5'-C4'-O4' 139.885 21.918 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . 0.473 ' C8 ' " H2'" ' B' ' 201' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.397 -4.654 2 C1'-O4'-C4' 117.957 9.285 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear build full ' B' B ' 203' ' ' ' A' . . . . . 0.625 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.332 -10.086 2 C1'-O4'-C4' 118.918 10.354 . 0.501 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 204' ' ' ' C' . . . . . 0.625 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.325 -10.662 2 C1'-O4'-C4' 118.436 9.818 . 0.65 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 205' ' ' ' U' . . . . . 0.509 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.256 -16.4 3 C1'-O4'-C4' 117.403 8.67 . 0.013 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 206' ' ' ' A' . . . . . 0.528 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.246 -17.267 2 C5'-C4'-O4' 133.365 17.261 OUTLIER-DELTA 0.01 1a . 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear build full ' B' B ' 207' ' ' ' G' . . . . . 0.528 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.255 -16.486 3 C5'-C4'-O4' 123.475 10.196 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 208' ' ' ' C' . . . . . 0.499 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.304 -12.454 3 C1'-O4'-C4' 118.61 10.012 . 0.101 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.642 ' N2 ' ' C6 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.378 -6.266 2 C5'-C4'-O4' 141.661 23.186 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 008 nuclear build full ' B' B ' 210' ' ' ' G' . . . . . 0.83 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.205 -20.653 2 C5'-C4'-O4' 137.63 20.307 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 008 nuclear build full ' B' B ' 211' ' ' ' A' . . . . . 0.634 " H4'" ' CE2' ' A' ' 16' ' ' PHE . . . . . . . . 0 O4'--C4' 1.408 -3.777 2 C5'-C4'-O4' 141.464 23.045 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . 0.572 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.386 -5.588 3 C5'-C4'-O4' 95.777 -9.588 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.642 ' C6 ' ' N2 ' ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.258 -16.211 2 C1'-O4'-C4' 119.726 11.252 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 008 nuclear build full ' B' B ' 214' ' ' ' C' . . . . . 0.576 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.398 -4.618 2 C1'-O4'-C4' 117.853 9.169 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear build full ' B' B ' 215' ' ' ' U' . . . . . 0.543 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.142 -25.893 2 C1'-O4'-C4' 120.871 12.523 . 0.19 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 216' ' ' ' A' . . . . . 0.594 ' C6 ' ' C6 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.297 -13.014 2 O4'-C4'-C3' 96.705 -6.282 . 0.3 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.594 ' C6 ' ' C6 ' ' B' ' 216' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.4 -4.401 3 C5'-C4'-O4' 121.959 9.114 . 0.149 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 218' ' ' ' U' . . . . . 0.54 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.3 -12.742 3 C5'-C4'-O4' 126.224 12.16 . 0.128 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.425 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.399 -4.482 3 C1'-O4'-C4' 117.084 8.315 . 0.078 1m . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.428 2 C1'-O4'-C4' 117.81 9.122 . 0.072 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.49 0.186 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.44 177.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 74.07 61.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.92 -27.06 61.56 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.534 1.146 . . . . 0.0 110.962 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -61.78 -14.51 33.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 0.78 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.497 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 3.3 t80 -59.96 -15.4 21.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.402 ' O ' ' HB3' ' A' ' 10' ' ' ARG . 15.9 ptt180 -60.15 -13.54 12.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.939 ' ND2' HG11 ' A' ' 13' ' ' VAL . 26.6 p-10 -57.4 -34.8 69.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.414 ' HA ' HG22 ' A' ' 13' ' ' VAL . 29.9 mt-30 -58.78 -11.59 3.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.359 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.492 ' O ' ' CZ ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -54.29 -18.7 4.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 110.29 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.481 ' O ' ' HB ' ' A' ' 12' ' ' THR . 3.6 ttpt -107.98 -85.44 0.52 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.387 1.054 . . . . 0.0 109.326 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.82 ' O ' HG23 ' A' ' 12' ' ' THR . 1.3 t 179.57 45.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.939 HG11 ' ND2' ' A' ' 8' ' ' ASN . 9.9 m -39.6 154.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -105.61 139.1 40.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.413 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 42.0 t -77.9 110.01 12.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 108.296 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.634 ' CE2' " H4'" ' B' ' 211' ' ' ' A' . 10.1 m-85 -72.38 -1.02 13.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -91.0 -67.33 0.86 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.595 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 27.8 p -82.6 -45.4 14.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 108.327 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.54 32.13 3.26 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.19 -173.13 2.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 0.776 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -132.47 125.06 29.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.074 . . . . 0.0 110.346 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.11 -23.01 3.53 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -145.5 157.92 43.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.528 0.781 . . . . 0.0 109.606 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.74 HG21 HD21 ' A' ' 8' ' ' ASN . 10.1 pt -107.63 163.23 5.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.451 ' O ' ' NH2' ' A' ' 32' ' ' ARG . . . -46.62 -37.2 7.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.6 1.187 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.644 ' HG3' HD12 ' A' ' 24' ' ' ILE . 8.7 mtpt -59.58 -47.96 83.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -92.59 17.78 9.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.347 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.1 t -89.57 130.98 35.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 108.305 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.15 -29.0 65.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.78 154.12 92.46 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 153.21 41.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.451 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -54.68 108.62 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.275 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.11 -176.46 4.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.102 . . . . 0.0 109.268 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.4 51.18 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.374 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.454 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -89.54 119.99 5.65 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.427 ' HA ' ' O6 ' ' B' ' 210' ' ' ' G' . 14.5 t -57.53 120.95 9.18 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.83 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -84.41 38.63 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 107.991 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.446 ' HB2' ' CG ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -133.45 -49.33 0.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.557 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.5 p -109.26 -31.64 7.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 108.235 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.64 21.89 22.78 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.412 1.07 . . . . 0.0 111.041 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.508 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -94.38 127.93 40.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 0.783 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.454 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 1.6 pt-20 -87.47 115.1 24.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.79 -52.25 0.55 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.127 . . . . 0.0 111.033 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.557 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 23.1 p-80 -98.2 -177.35 3.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.743 . . . . 0.0 109.582 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.597 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -132.7 163.12 29.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.446 ' CG ' ' HB2' ' A' ' 38' ' ' LYS . 3.8 mtp -51.37 -45.75 62.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -54.98 -34.06 63.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -117.26 34.77 4.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.462 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 35.9 t -56.82 111.23 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 108.354 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 t -79.12 2.86 19.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.465 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -76.86 -60.14 2.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -176.59 -58.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.74 165.43 1.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.266 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.38 94.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.599 1.187 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 201' ' ' ' G' . . . . . 0.509 ' C8 ' ' C4 ' ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.402 -4.236 2 O4'-C4'-C3' 92.359 -9.386 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . 0.613 ' C6 ' ' C6 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.331 -10.208 2 C1'-O4'-C4' 117.604 8.893 . 0.257 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 203' ' ' ' A' . . . . . 0.622 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.253 -16.681 3 C1'-O4'-C4' 119.57 11.078 . 0.017 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 204' ' ' ' C' . . . . . 0.622 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.257 -16.331 2 C1'-O4'-C4' 118.836 10.262 . 0.03 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 205' ' ' ' U' . . . . . 0.522 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.246 -17.228 1 C1'-O4'-C4' 120.014 11.571 . 0.154 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 206' ' ' ' A' . . . . . 0.531 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.248 -17.078 2 C5'-C4'-O4' 130.175 14.982 . 0.101 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 207' ' ' ' G' . . . . . 0.531 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.348 -8.746 3 C5'-C4'-O4' 130.009 14.864 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear build full ' B' B ' 208' ' ' ' C' . . . . . 0.527 " H2'" ' C8 ' ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.101 -29.322 2 C5'-C4'-O4' 136.689 19.635 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.527 ' C8 ' " H2'" ' B' ' 208' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.384 -5.791 2 C5'-C4'-O4' 138.36 20.828 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear build full ' B' B ' 210' ' ' ' G' . . . . . 0.814 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.357 -8.017 2 C5'-C4'-O4' 150.088 29.206 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 009 nuclear build full ' B' B ' 211' ' ' ' A' . . . . . 0.414 HO2' ' P ' ' B' ' 212' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.402 -4.243 2 C5'-C4'-O4' 141.752 23.251 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 009 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . 0.601 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.127 -27.191 2 C1'-O4'-C4' 120.298 11.886 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 009 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.624 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.2 -21.054 2 C5'-C4'-O4' 138.934 21.239 . 0.0 OUTLIER '7D dist 9a' 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear build full ' B' B ' 214' ' ' ' C' . . . . . 0.624 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.358 -7.89 2 C5'-C4'-O4' 136.965 19.832 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 009 nuclear build full ' B' B ' 215' ' ' ' U' . . . . . 0.544 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.087 -30.476 2 C1'-O4'-C4' 122.919 14.799 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear build full ' B' B ' 216' ' ' ' A' . . . . . 0.55 " H2'" ' C8 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.304 -12.446 2 O4'-C4'-C3' 96.333 -6.548 . 0.648 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.581 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.394 -4.92 2 O4'-C4'-C3' 93.227 -8.766 . 0.338 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 218' ' ' ' U' . . . . . 0.61 ' C4 ' ' N4 ' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.151 -25.148 2 C1'-O4'-C4' 120.199 11.776 . 0.122 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.679 " H2'" ' C6 ' ' B' ' 220' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.356 -8.12 3 C5'-C4'-O4' 125.926 11.947 . 0.053 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 220' ' ' ' C' . . . . . 0.679 ' C6 ' " H2'" ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.189 -21.976 2 C5'-C4'-O4' 137.104 19.931 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.424 ' HG3' ' N ' ' A' ' 2' ' ' GLN . 5.8 ptp . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.544 0.212 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.424 ' N ' ' HG3' ' A' ' 1' ' ' MET . 0.5 OUTLIER -103.17 178.68 4.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.308 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 79.05 66.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.62 -27.71 61.67 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -58.9 -17.2 22.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.592 0.819 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -59.44 -15.11 15.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 111.039 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.503 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 20.1 mtm105 -59.8 -12.3 7.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 110.275 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.93 ' ND2' HG11 ' A' ' 13' ' ' VAL . 30.6 p-10 -57.39 -36.35 71.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.239 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.418 ' N ' ' OD1' ' A' ' 8' ' ' ASN . 6.1 mt-30 -59.29 -9.97 2.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.503 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 13.4 ptt180 -57.75 -15.9 9.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.349 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.527 ' O ' ' HB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -110.87 -85.1 0.56 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.429 1.081 . . . . 0.0 109.29 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.778 ' O ' HG23 ' A' ' 12' ' ' THR . 1.9 t 179.04 46.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.441 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.93 HG11 ' ND2' ' A' ' 8' ' ' ASN . 10.1 m -40.44 154.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.407 ' HE3' ' CZ3' ' A' ' 37' ' ' TRP . 3.1 tttt -105.97 139.56 40.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 42.2 t -78.63 114.73 17.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 108.322 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.487 ' CE1' " H4'" ' B' ' 210' ' ' ' G' . 7.7 m-85 -81.01 10.91 4.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -104.6 -52.05 2.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.364 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -100.82 -40.67 7.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 108.331 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.441 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 103.53 28.87 5.85 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.438 1.086 . . . . 0.0 111.038 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -114.51 140.64 48.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 0.794 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -84.33 143.89 29.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.78 0.82 11.96 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.584 1.178 . . . . 0.0 111.028 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 22.9 p-80 -175.63 157.65 2.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 109.566 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.663 HG21 HD21 ' A' ' 8' ' ' ASN . 10.2 pt -108.97 160.7 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.439 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -48.99 -37.23 19.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.358 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.484 ' HB2' HD11 ' A' ' 24' ' ' ILE . 8.2 mmmt -59.73 -44.82 93.61 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -94.15 10.54 33.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.439 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 42.3 t -83.17 135.47 34.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 108.328 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.74 -31.38 59.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.88 155.6 30.69 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.49 42.39 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.537 1.809 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.96 106.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -131.31 -176.3 3.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.41 53.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -95.16 123.9 7.78 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.513 1.133 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.432 ' C ' ' H ' ' A' ' 38' ' ' LYS . 30.0 t -60.56 119.17 7.56 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.814 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -84.68 36.32 0.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 108.04 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.432 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -130.79 -48.94 1.04 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.534 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 12.2 p -109.09 -31.64 7.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 108.292 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.46 22.14 22.56 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.464 1.102 . . . . 0.0 111.044 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.538 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -94.32 126.97 39.91 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 0.753 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.43 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.37 114.79 24.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 146.95 -51.65 0.57 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.565 1.166 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.538 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 20.7 p-80 -98.99 -177.97 3.8 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 0.773 . . . . 0.0 109.532 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.588 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 3.2 pt20 -133.9 159.45 40.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.593 1.183 . . . . 0.0 110.313 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.422 ' HB3' ' N7 ' ' B' ' 210' ' ' ' G' . 6.5 tpt -52.23 -40.72 62.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.07 -33.21 56.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -126.38 40.64 3.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.258 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.462 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 39.3 t -55.62 110.62 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.324 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 t -81.68 5.12 19.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.414 1.071 . . . . 0.0 110.368 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -149.87 78.09 1.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.402 1.064 . . . . 0.0 110.277 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.53 88.15 7.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.314 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -162.9 157.46 21.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 110.282 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.87 160.91 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.36 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.44 3 C5'-C4'-O4' 137.22 20.015 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.377 -6.307 3 C5'-C4'-O4' 97.063 -8.669 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 203' ' ' ' A' . . . . . 0.64 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.273 -14.968 2 C1'-O4'-C4' 119.93 11.477 . 0.567 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 204' ' ' ' C' . . . . . 0.64 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.343 -9.193 2 C1'-O4'-C4' 118.632 10.036 . 0.548 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 205' ' ' ' U' . . . . . 0.541 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.238 -17.921 2 C1'-O4'-C4' 120.623 12.248 . 0.121 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 206' ' ' ' A' . . . . . 0.555 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.208 -20.425 2 C1'-O4'-C4' 118.683 10.092 . 0.45 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 207' ' ' ' G' . . . . . 0.555 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.398 -4.601 3 C5'-C4'-O4' 132.002 16.287 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 010 nuclear build full ' B' B ' 208' ' ' ' C' . . . . . 0.519 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.089 -30.347 2 C5'-C4'-O4' 134.103 17.788 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 010 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.639 ' N2 ' ' C5 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.107 -28.864 2 C1'-O4'-C4' 121.317 13.019 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 010 nuclear build full ' B' B ' 210' ' ' ' G' . . . . . 0.847 " H4'" ' CE1' ' A' ' 16' ' ' PHE . . . . . . . . 1 O4'--C4' 1.311 -11.867 2 C5'-C4'-O4' 148.996 28.426 OUTLIER-DELTA 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 5 4 . 1 . 010 nuclear build full ' B' B ' 211' ' ' ' A' . . . . . 0.576 ' C2 ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 1 O4'--C4' 1.402 -4.263 3 C5'-C4'-O4' 144.83 25.45 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 010 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . 0.479 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.255 -16.482 2 C1'-O4'-C4' 120.138 11.709 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 3 . 1 . 010 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.639 ' C5 ' ' N2 ' ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.244 -17.423 2 C1'-O4'-C4' 119.824 11.36 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 010 nuclear build full ' B' B ' 214' ' ' ' C' . . . . . 0.535 " H2'" ' C6 ' ' B' ' 215' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.402 -4.239 2 C5'-C4'-O4' 126.408 12.292 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 010 nuclear build full ' B' B ' 215' ' ' ' U' . . . . . 0.535 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.136 -26.406 2 C1'-O4'-C4' 122.326 14.141 . 0.331 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 216' ' ' ' A' . . . . . 0.465 " H2'" " O4'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.35 -8.567 2 O4'-C4'-C3' 94.416 -7.917 . 0.224 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.554 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.4 -4.438 3 C5'-C4'-O4' 123.168 9.977 . 0.055 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 218' ' ' ' U' . . . . . 0.554 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.321 -11.014 3 C1'-O4'-C4' 117.82 9.134 . 0.039 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.505 ' C6 ' " H2'" ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.383 -5.803 3 C5'-C4'-O4' 92.94 -11.615 . 0.156 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.381 3 O4'-C4'-C3' 94.212 -8.063 . 0.033 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.484 0.183 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -39.01 131.66 1.38 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 110.367 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.1 pttm -177.66 68.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.242 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.89 -27.05 61.48 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -60.17 -15.64 25.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 0.727 . . . . 0.0 109.252 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.515 ' CZ ' ' OE1' ' A' ' 9' ' ' GLN . 2.2 t80 -59.56 -17.03 29.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.95 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.428 ' HB2' ' NH1' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -61.04 -12.14 10.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.935 ' ND2' HG11 ' A' ' 13' ' ' VAL . 20.1 p-10 -56.89 -22.57 38.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.53 ' HA ' HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -61.15 -11.24 8.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.427 ' O ' ' CZ ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -71.14 -5.03 28.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.283 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 12' ' ' THR . 21.5 tttp -126.24 40.01 3.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.316 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.761 ' O ' HG23 ' A' ' 12' ' ' THR . 3.7 t 36.08 48.39 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 110.414 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.935 HG11 ' ND2' ' A' ' 8' ' ' ASN . 10.9 m -38.34 155.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.464 1.102 . . . . 0.0 109.228 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.12 134.59 51.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.417 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 42.0 t -70.69 111.05 5.87 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.563 1.164 . . . . 0.0 108.256 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.847 ' CE1' " H4'" ' B' ' 210' ' ' ' G' . 11.1 m-85 -74.99 5.66 4.95 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -97.79 -62.41 1.25 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.401 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 26.9 p -91.39 -42.5 10.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 108.327 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 106.54 28.33 5.16 Favored Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.502 1.127 . . . . 0.0 111.006 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -109.76 136.61 48.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.433 0.725 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.24 139.04 33.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.386 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.69 9.36 8.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.459 1.099 . . . . 0.0 111.013 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.5 p-80 -176.44 159.48 1.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 0.791 . . . . 0.0 109.564 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.821 HG21 HD21 ' A' ' 8' ' ' ASN . 6.3 pt -113.33 158.3 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.576 ' HB3' ' C2 ' ' B' ' 211' ' ' ' A' . . . -49.27 -37.95 25.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.546 ' HB2' HD11 ' A' ' 24' ' ' ILE . 7.4 mmmt -59.12 -44.39 92.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -92.73 5.98 49.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 24' ' ' ILE . 41.8 t -79.79 136.57 36.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 108.296 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -77.09 -31.68 56.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.44 155.09 39.72 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 155.2 42.65 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.498 HH21 ' HB1' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -56.42 107.01 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.349 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.08 -176.18 3.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.51 54.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -97.98 126.48 8.9 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.444 ' C ' ' H ' ' A' ' 38' ' ' LYS . 12.2 t -61.44 117.79 6.15 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.819 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -82.99 39.05 0.62 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -132.26 -49.28 0.92 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.525 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 14.2 p -110.01 -32.39 7.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 108.308 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.03 23.07 15.72 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.441 1.088 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.548 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -95.95 126.15 40.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 0.734 . . . . 0.0 109.327 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.442 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -85.91 119.63 26.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.32 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.35 -48.81 0.79 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.548 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 17.1 p-80 -102.62 175.56 5.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 0.786 . . . . 0.0 109.58 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.592 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -126.28 163.26 23.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.7 ttt -51.55 -46.47 63.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -32.29 56.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -118.4 34.93 4.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.492 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.7 t -58.73 111.74 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 108.341 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.0 t -73.69 -2.57 23.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.393 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -147.41 53.86 1.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -39.13 -62.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 42.48 62.47 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.254 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.38 -63.43 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.916 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.398 -4.555 3 C1'-O4'-C4' 117.887 9.208 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.354 -8.262 3 C1'-O4'-C4' 118.611 10.013 . 0.409 1L . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear build full ' B' B ' 203' ' ' ' A' . . . . . 0.658 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.337 -9.646 3 C1'-O4'-C4' 118.913 10.348 . 0.156 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 204' ' ' ' C' . . . . . 0.658 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.35 -8.57 3 C1'-O4'-C4' 118.768 10.186 . 0.503 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 205' ' ' ' U' . . . . . 0.51 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.089 -30.374 2 C5'-C4'-O4' 136.784 19.703 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 011 nuclear build full ' B' B ' 206' ' ' ' A' . . . . . 0.619 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.138 -26.247 2 C5'-C4'-O4' 129.556 14.54 . 0.136 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 207' ' ' ' G' . . . . . 0.619 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.403 -4.194 3 C5'-C4'-O4' 132.346 16.533 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 011 nuclear build full ' B' B ' 208' ' ' ' C' . . . . . 0.456 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.292 -13.409 2 C1'-O4'-C4' 117.915 9.239 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 4 3 . 1 . 011 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.481 " H2'" " C5'" ' B' ' 211' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.308 -12.106 2 C5'-C4'-O4' 139.724 21.803 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 011 nuclear build full ' B' B ' 210' ' ' ' G' . . . . . 0.919 " H4'" ' CE1' ' A' ' 16' ' ' PHE . . . . . . . . 1 O4'--C4' 1.254 -16.586 3 C5'-C4'-O4' 144.87 25.479 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 011 nuclear build full ' B' B ' 211' ' ' ' A' . . . . . 0.481 " C5'" " H2'" ' B' ' 209' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.407 -3.852 3 C5'-C4'-O4' 145.927 26.234 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 011 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . 0.474 " C4'" " H5'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.195 -21.523 1 C1'-O4'-C4' 114.277 5.197 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 011 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.622 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.323 -10.846 2 C1'-O4'-C4' 115.49 6.545 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 011 nuclear build full ' B' B ' 214' ' ' ' C' . . . . . 0.622 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.403 -4.205 3 C1'-O4'-C4' 117.622 8.914 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 011 nuclear build full ' B' B ' 215' ' ' ' U' . . . . . 0.528 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.131 -26.829 2 C1'-O4'-C4' 122.454 14.282 . 0.175 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 216' ' ' ' A' . . . . . 0.455 " H2'" " O4'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.269 -15.297 3 C1'-O4'-C4' 116.724 7.915 . 0.287 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.553 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.399 -4.511 3 O4'-C4'-C3' 92.862 -9.027 . 0.112 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 218' ' ' ' U' . . . . . 0.553 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.376 -6.42 2 O4'-C4'-C3' 93.854 -8.319 . 0.014 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.516 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.381 -5.98 3 C5'-C4'-O4' 96.189 -9.294 . 0.292 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.396 3 C5'-C4'-O4' 96.992 -8.72 . 0.069 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 mmt . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.485 0.183 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.13 -64.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt 66.63 53.71 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.342 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.508 ' HA3' HH21 ' A' ' 7' ' ' ARG . . . -58.97 -26.52 60.96 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -59.05 -17.56 26.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 0.74 . . . . 0.0 109.258 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 6' ' ' PHE . 5.0 t80 -60.61 -15.95 33.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.508 HH21 ' HA3' ' A' ' 4' ' ' GLY . 9.3 mtt180 -61.17 -13.03 14.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.225 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.929 ' ND2' HG11 ' A' ' 13' ' ' VAL . 11.8 p-10 -56.39 -20.86 21.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.474 ' HA ' HG22 ' A' ' 13' ' ' VAL . 4.7 mt-30 -58.51 -14.93 9.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.47 HH21 " H3'" ' B' ' 206' ' ' ' A' . 7.9 ptt-85 -59.46 -14.91 14.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.712 ' O ' HG22 ' A' ' 12' ' ' THR . 0.0 OUTLIER -117.46 24.42 11.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.752 ' O ' HG23 ' A' ' 12' ' ' THR . 3.9 t 51.1 47.11 25.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.437 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.929 HG11 ' ND2' ' A' ' 8' ' ' ASN . 25.4 m -37.03 154.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.53 141.78 36.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.405 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 41.9 t -77.09 111.4 12.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 108.343 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.919 ' CE1' " H4'" ' B' ' 210' ' ' ' G' . 7.2 m-85 -73.11 1.01 9.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -93.39 -66.98 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.484 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 26.4 p -83.53 -43.91 15.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 108.306 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.488 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 107.71 30.13 4.14 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -99.23 -172.31 2.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 0.776 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -134.85 128.82 33.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.233 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.21 5.86 7.8 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.582 1.176 . . . . 0.0 111.033 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -166.54 159.02 13.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 0.79 . . . . 0.0 109.566 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.71 HG21 HD21 ' A' ' 8' ' ' ASN . 7.3 pt -111.07 159.15 11.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.455 ' O ' ' NH2' ' A' ' 32' ' ' ARG . . . -49.33 -38.22 27.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.537 ' HB2' HD11 ' A' ' 24' ' ' ILE . 6.1 mmmt -59.03 -43.59 91.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -91.58 5.65 48.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.078 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.4 ' HB2' ' HA ' ' A' ' 25' ' ' ALA . 47.4 t -79.97 139.65 36.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 108.273 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.9 -31.05 35.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.0 153.46 65.96 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 158.61 42.15 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.502 1.791 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.455 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -55.68 105.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.03 177.44 7.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 109.227 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.21 52.52 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.45 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -98.21 123.11 7.74 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.433 ' C ' ' H ' ' A' ' 38' ' ' LYS . 26.3 t -56.77 119.02 5.49 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.818 ' CZ2' ' C5 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -83.99 36.43 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.433 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.3 OUTLIER -130.9 -48.93 1.03 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.523 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.4 p -109.74 -32.3 7.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 108.266 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.84 22.38 18.28 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.544 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 4.2 tttt -95.81 127.3 41.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 0.722 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.45 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.49 119.95 28.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 110.312 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.66 -48.88 0.78 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.598 1.186 . . . . 0.0 111.038 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.544 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 15.7 p-80 -101.28 -179.65 4.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 0.788 . . . . 0.0 109.619 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.57 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 5.1 pt20 -129.2 158.18 39.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.362 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.3 ttt -50.57 -46.56 57.76 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -35.12 66.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.01 31.83 6.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.233 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.506 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.8 t -52.11 111.78 0.68 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 108.316 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.8 t -78.92 2.2 21.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.379 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -94.82 -60.16 1.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.75 103.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -178.02 114.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.41 136.44 56.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.2 p30 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 -179.94 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 201' ' ' ' G' . . . . . 0.404 " H2'" ' C8 ' ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.258 -16.236 2 C5'-C4'-O4' 136.919 19.799 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . 0.404 ' C8 ' " H2'" ' B' ' 201' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.261 -15.959 2 C1'-O4'-C4' 120.129 11.699 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear build full ' B' B ' 203' ' ' ' A' . . . . . 0.609 " H2'" ' C6 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.297 -12.994 2 C1'-O4'-C4' 118.529 9.921 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear build full ' B' B ' 204' ' ' ' C' . . . . . 0.609 ' C6 ' " H2'" ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.084 -30.714 2 C5'-C4'-O4' 131.239 15.742 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear build full ' B' B ' 205' ' ' ' U' . . . . . 0.461 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.111 -28.524 2 C1'-O4'-C4' 121.766 13.518 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear build full ' B' B ' 206' ' ' ' A' . . . . . 0.597 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.216 -19.755 2 C5'-C4'-O4' 135.098 18.498 OUTLIER-DELTA 0.085 1L . 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear build full ' B' B ' 207' ' ' ' G' . . . . . 0.597 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.397 -4.653 3 C5'-C4'-O4' 135.544 18.817 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 012 nuclear build full ' B' B ' 208' ' ' ' C' . . . . . 0.473 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.157 -24.698 2 C5'-C4'-O4' 129.685 14.632 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.511 ' C2 ' ' C6 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.265 -15.672 1 C5'-C4'-O4' 144.965 25.547 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear build full ' B' B ' 210' ' ' ' G' . . . . . 0.81 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.358 -7.938 2 C5'-C4'-O4' 150.549 29.535 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear build full ' B' B ' 211' ' ' ' A' . . . . . 0.563 " H4'" ' CE2' ' A' ' 16' ' ' PHE . . . . . . . . 1 O4'--C4' 1.404 -4.119 2 C5'-C4'-O4' 144.631 25.308 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 012 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . 0.579 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.402 -4.226 1 O4'-C4'-C3' 92.469 -9.308 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.543 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.248 -17.095 2 C1'-O4'-C4' 117.505 8.783 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 012 nuclear build full ' B' B ' 214' ' ' ' C' . . . . . 0.543 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.374 -6.62 2 C5'-C4'-O4' 122.785 9.703 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear build full ' B' B ' 215' ' ' ' U' . . . . . 0.53 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.235 -18.161 2 C5'-C4'-O4' 137.805 20.432 . 0.016 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B ' 216' ' ' ' A' . . . . . 0.406 " H2'" " O4'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.246 -17.246 2 C1'-O4'-C4' 117.587 8.874 . 0.014 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.538 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.401 -4.355 3 C5'-C4'-O4' 126.776 12.554 . 0.06 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B ' 218' ' ' ' U' . . . . . 0.538 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.339 -9.458 3 C1'-O4'-C4' 116.349 7.499 . 0.045 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.502 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.346 -8.901 3 C5'-C4'-O4' 96.714 -8.919 . 0.356 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.404 3 C5'-C4'-O4' 95.259 -9.958 . 0.045 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.4 ' O ' ' O ' ' A' ' 2' ' ' GLN . 14.6 mtp . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.572 0.225 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 1' ' ' MET . 2.2 tm0? 54.0 104.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? 70.74 58.5 0.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.7 -19.94 50.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.542 1.151 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -59.11 -16.52 19.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 0.732 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.41 ' CZ ' ' OE1' ' A' ' 9' ' ' GLN . 20.4 t80 -61.56 -18.35 58.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -60.36 -12.6 9.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.235 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.914 ' ND2' HG11 ' A' ' 13' ' ' VAL . 20.4 p-10 -55.96 -19.26 11.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.41 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 53.0 mt-30 -61.54 -11.43 11.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.4 1.062 . . . . 0.0 110.374 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -79.55 3.62 18.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 110.321 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 10' ' ' ARG . 6.6 tttp -131.92 38.67 3.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.759 ' O ' HG23 ' A' ' 12' ' ' THR . 3.0 t 35.5 47.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.914 HG11 ' ND2' ' A' ' 8' ' ' ASN . 9.7 m -39.96 154.71 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -106.32 138.9 41.67 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.439 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 42.3 t -78.28 114.35 17.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 108.342 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.563 ' CE2' " H4'" ' B' ' 211' ' ' ' A' . 6.5 m-85 -77.81 8.23 4.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -102.25 -58.09 1.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.075 . . . . 0.0 109.242 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.447 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 24.8 p -94.9 -41.33 9.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.445 1.091 . . . . 0.0 108.378 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.491 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 103.67 28.21 6.07 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -110.71 141.36 44.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.767 . . . . 0.0 109.278 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -84.72 141.75 30.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.376 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.29 -24.7 5.28 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.118 . . . . 0.0 110.948 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -150.65 157.98 43.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 0.777 . . . . 0.0 109.526 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.798 HG21 HD21 ' A' ' 8' ' ' ASN . 12.5 pt -108.21 159.9 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.574 ' HB1' HH21 ' A' ' 32' ' ' ARG . . . -48.91 -36.8 18.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.43 ' HB2' HD11 ' A' ' 24' ' ' ILE . 5.7 mmtt -59.37 -45.41 91.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -97.34 14.37 26.4 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.478 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 53.5 t -83.65 145.92 28.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 108.313 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -84.79 -36.88 21.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.94 155.19 8.58 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 155.04 42.51 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.475 1.776 . . . . 0.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.574 HH21 ' HB1' ' A' ' 25' ' ' ALA . 4.2 mmp_? -54.85 103.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.354 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.22 -176.78 4.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.71 52.76 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.466 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -91.06 121.19 6.19 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.547 1.154 . . . . 0.0 110.961 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.429 ' C ' ' H ' ' A' ' 38' ' ' LYS . 18.0 t -58.06 119.38 6.69 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.81 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -83.93 37.55 0.6 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 107.982 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.429 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -131.99 -49.24 0.94 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.564 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.6 p -110.23 -31.72 7.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 108.269 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.45 22.9 20.57 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.549 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 1.5 tttt -95.28 121.47 36.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.398 0.705 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.466 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -81.5 117.44 21.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.17 -50.32 0.67 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.541 1.151 . . . . 0.0 111.045 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.564 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 16.6 p-80 -101.01 175.28 5.65 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.453 0.737 . . . . 0.0 109.532 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.57 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 0.1 OUTLIER -124.9 162.15 25.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.9 ttm -51.91 -45.45 64.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.455 1.097 . . . . 0.0 111.05 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -55.18 -34.29 63.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.23 33.88 5.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.479 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 39.3 t -56.66 112.04 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 108.228 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.0 t -85.56 4.91 33.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.385 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -94.27 -68.1 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.58 1.175 . . . . 0.0 110.248 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.8 81.14 0.17 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -164.52 166.39 20.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 110.27 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 55' ' ' ASN . . . -93.87 175.28 6.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 54' ' ' ALA . 4.6 m120 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 201' ' ' ' G' . . . . . 0.61 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.382 -5.914 3 C1'-O4'-C4' 118.089 9.432 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . 0.61 ' C6 ' ' C6 ' ' B' ' 201' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.356 -8.062 2 C1'-O4'-C4' 118.521 9.912 . 0.191 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 203' ' ' ' A' . . . . . 0.658 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.351 -8.48 2 C1'-O4'-C4' 118.712 10.125 . 0.291 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 204' ' ' ' C' . . . . . 0.658 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.276 -14.791 2 C1'-O4'-C4' 119.999 11.555 . 0.531 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 205' ' ' ' U' . . . . . 0.489 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.34 -9.444 2 C1'-O4'-C4' 118.557 9.952 . 0.704 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 206' ' ' ' A' . . . . . 0.508 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.222 -19.288 2 C1'-O4'-C4' 120.541 12.157 . 0.358 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 207' ' ' ' G' . . . . . 0.508 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.362 -7.548 3 C5'-C4'-O4' 136.498 19.498 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 013 nuclear build full ' B' B ' 208' ' ' ' C' . . . . . 0.501 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.142 -25.886 2 C5'-C4'-O4' 140.797 22.569 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 013 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.556 " H2'" " C5'" ' B' ' 211' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.205 -20.677 2 C5'-C4'-O4' 124.481 10.915 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 013 nuclear build full ' B' B ' 210' ' ' ' G' . . . . . 0.833 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.371 -6.815 2 C5'-C4'-O4' 151.282 30.059 . 0.015 7d . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 211' ' ' ' A' . . . . . 0.643 " H4'" ' CE2' ' A' ' 16' ' ' PHE . . . . . . . . 0 O4'--C4' 1.412 -3.443 2 C5'-C4'-O4' 142.47 23.764 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 013 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . 0.538 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.086 -30.552 2 C1'-O4'-C4' 122.783 14.648 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 013 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.672 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.233 -18.329 2 C5'-C4'-O4' 124.744 11.103 . 0.025 9a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 214' ' ' ' C' . . . . . 0.672 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.388 -5.401 3 C1'-O4'-C4' 118.009 9.344 . 0.467 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 215' ' ' ' U' . . . . . 0.549 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.157 -24.675 1 C1'-O4'-C4' 119.095 10.55 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 216' ' ' ' A' . . . . . 0.521 " H2'" ' C8 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.207 -20.533 1 C1'-O4'-C4' 117.708 9.009 . 0.078 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.533 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.401 -4.354 3 O4'-C4'-C3' 93.544 -8.54 . 0.273 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 218' ' ' ' U' . . . . . 0.533 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.398 -4.575 3 C5'-C4'-O4' 121.852 9.037 . 0.073 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.493 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.263 -15.807 2 C5'-C4'-O4' 127.416 13.011 . 0.121 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.393 -5.037 3 C1'-O4'-C4' 117.663 8.959 . 0.186 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 mmt . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.42 0.152 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -39.93 159.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.604 1.19 . . . . 0.0 110.281 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -146.71 51.85 1.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.369 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.17 -31.66 77.7 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.42 ' ND2' ' N7 ' ' B' ' 213' ' ' ' G' . 3.0 m-20 -60.47 -14.48 19.62 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.526 0.78 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.462 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 4.4 t80 -55.43 -27.52 48.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -15.0 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.358 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.909 ' ND2' HG11 ' A' ' 13' ' ' VAL . 21.1 p-10 -57.01 -17.31 9.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -59.55 -14.31 12.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.497 ' O ' ' CZ ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -81.02 5.85 15.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -131.06 37.01 3.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.76 ' O ' HG23 ' A' ' 12' ' ' THR . 2.7 t 34.71 46.61 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.42 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.909 HG11 ' ND2' ' A' ' 8' ' ' ASN . 11.3 m -41.83 154.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.513 ' HE3' ' CZ3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -106.12 140.18 39.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.426 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 43.2 t -80.21 112.48 17.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 108.26 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.643 ' CE2' " H4'" ' B' ' 211' ' ' ' A' . 6.1 m-85 -74.85 6.74 3.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -101.14 -64.52 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.404 ' O ' ' HB3' ' A' ' 37' ' ' TRP . 27.2 p -87.12 -41.35 13.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.587 1.179 . . . . 0.0 108.311 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.437 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 102.29 31.07 5.42 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.459 1.099 . . . . 0.0 111.054 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.21 143.08 45.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.407 0.71 . . . . 0.0 109.297 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 12' ' ' THR . 1.4 mt-10 -85.95 141.65 29.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.68 -28.74 4.38 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.401 ' O ' ' HB2' ' A' ' 15' ' ' CYS . 22.7 p-80 -146.04 158.32 43.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.604 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.827 HG21 HD21 ' A' ' 8' ' ' ASN . 15.3 pt -107.94 159.54 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.458 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -48.49 -36.21 14.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -59.45 -46.12 89.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -93.39 9.72 35.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 30' ' ' ALA . 48.5 t -83.15 125.86 31.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 108.26 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.423 ' HG2' ' N ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -72.93 -23.69 60.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.442 1.089 . . . . 0.0 110.318 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.468 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . . . -63.2 155.24 74.78 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 151.61 39.64 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.45 1.763 . . . . 0.0 111.041 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.8 mmm-85 -57.34 108.87 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.6 -175.97 3.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -147.27 53.47 1.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.464 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -95.81 124.49 8.05 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.571 1.169 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.448 ' C ' ' H ' ' A' ' 38' ' ' LYS . 14.6 t -58.7 117.89 5.07 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.833 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -82.87 38.21 0.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 107.979 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.448 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -131.77 -49.33 0.96 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.515 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.4 p -109.96 -32.99 6.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 108.263 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.49 22.39 14.53 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.557 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 1.8 tttt -95.42 127.84 41.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 0.756 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.464 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 1.9 pt-20 -87.67 120.19 28.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.59 -48.27 0.83 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.442 1.089 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.557 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 15.0 p-80 -102.38 177.0 4.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 0.73 . . . . 0.0 109.609 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.574 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 2.0 pt20 -126.09 158.5 35.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.14 . . . . 0.0 110.309 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.8 tmm? -51.0 -44.59 60.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.21 -35.98 67.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -114.11 32.74 5.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.499 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 35.5 t -53.66 111.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 108.31 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 t -79.64 3.4 19.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.361 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -155.79 79.02 1.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.1 ptt-85 -75.27 118.16 17.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 179.19 -179.36 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 65.13 -179.86 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.467 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.322 -10.904 2 C5'-C4'-O4' 128.737 13.955 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.365 -7.303 3 C5'-C4'-O4' 127.87 13.336 . 0.148 1L . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear build full ' B' B ' 203' ' ' ' A' . . . . . 0.581 " H2'" ' C6 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.34 -9.412 2 C1'-O4'-C4' 118.61 10.012 . 0.016 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 204' ' ' ' C' . . . . . 0.637 " H2'" ' C6 ' ' B' ' 205' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.115 -28.146 2 C5'-C4'-O4' 139.332 21.523 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 014 nuclear build full ' B' B ' 205' ' ' ' U' . . . . . 0.637 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.4 -4.397 3 C5'-C4'-O4' 139.925 21.947 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 014 nuclear build full ' B' B ' 206' ' ' ' A' . . . . . 0.527 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.296 -13.096 2 C1'-O4'-C4' 117.729 9.032 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 014 nuclear build full ' B' B ' 207' ' ' ' G' . . . . . 0.527 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.304 -12.426 3 C5'-C4'-O4' 127.223 12.874 . 0.105 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 208' ' ' ' C' . . . . . 0.488 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.396 -4.789 3 C5'-C4'-O4' 96.669 -8.951 . 0.01 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.5 ' N2 ' ' C5 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.259 -16.208 3 C5'-C4'-O4' 134.464 18.045 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 014 nuclear build full ' B' B ' 210' ' ' ' G' . . . . . 0.821 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.113 -28.321 2 C1'-O4'-C4' 121.499 13.222 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 014 nuclear build full ' B' B ' 211' ' ' ' A' . . . . . 0.566 ' C6 ' ' CB ' ' A' ' 25' ' ' ALA . . . . . . . . 0 O4'--C4' 1.408 -3.751 2 C5'-C4'-O4' 124.123 10.659 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . 0.565 " H4'" ' C8 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.107 -28.814 2 C1'-O4'-C4' 121.706 13.451 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 014 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.565 ' C8 ' " H4'" ' B' ' 212' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.26 -16.087 2 C5'-C4'-O4' 137.798 20.427 . 0.01 9a . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 214' ' ' ' C' . . . . . 0.558 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.401 -4.308 3 C5'-C4'-O4' 122.182 9.273 . 0.535 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 215' ' ' ' U' . . . . . 0.536 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.206 -20.555 2 C5'-C4'-O4' 135.821 19.015 . 0.014 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 216' ' ' ' A' . . . . . 0.464 " H2'" " O4'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.322 -10.927 2 O4'-C4'-C3' 95.611 -7.064 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 014 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.553 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.325 -10.673 3 C5'-C4'-O4' 128.444 13.746 . 0.068 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 218' ' ' ' U' . . . . . 0.553 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.322 -10.915 2 O4'-C4'-C3' 95.76 -6.957 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 014 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.538 ' C6 ' " H2'" ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.282 -14.243 2 C1'-O4'-C4' 118.267 9.63 . 0.781 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.399 -4.516 3 C5'-C4'-O4' 93.302 -11.355 . 0.117 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.513 0.197 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -54.79 -177.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt 67.53 55.6 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.32 -19.36 46.47 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.505 1.128 . . . . 0.0 111.056 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -55.58 -19.92 11.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 0.726 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.08 -15.18 8.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.377 1.048 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.445 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -60.21 -9.11 2.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.956 ' ND2' HG11 ' A' ' 13' ' ' VAL . 25.4 p-10 -57.01 -25.59 58.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -60.9 -11.02 6.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.445 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -80.39 0.4 33.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.082 . . . . 0.0 110.266 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 12' ' ' THR . 11.9 ttpt -128.07 38.2 4.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.637 1.211 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.746 ' O ' HG23 ' A' ' 12' ' ' THR . 3.6 t 35.67 48.04 0.43 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.424 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.956 HG11 ' ND2' ' A' ' 8' ' ' ASN . 9.9 m -39.1 154.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.85 134.18 51.88 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 42.6 t -72.04 113.42 9.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 108.287 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.466 ' CD2' ' C6 ' ' B' ' 212' ' ' ' G' . 6.5 m-85 -77.39 7.87 4.85 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.547 1.154 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -101.96 -58.63 1.84 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.568 1.167 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 27.4 p -93.53 -42.2 9.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 0.0 108.342 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 103.94 31.25 4.84 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.47 1.107 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.27 139.01 50.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 0.732 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -82.06 144.8 30.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.253 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.43 -22.7 6.95 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.483 1.115 . . . . 0.0 110.995 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.1 p-80 -152.51 157.46 41.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 109.587 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.763 HG21 HD21 ' A' ' 8' ' ' ASN . 14.6 pt -107.34 161.51 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.566 ' CB ' ' C6 ' ' B' ' 211' ' ' ' A' . . . -48.17 -36.95 14.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.37 -45.87 91.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -92.86 13.35 20.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.622 1.201 . . . . 0.0 109.319 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.428 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 48.9 t -84.91 138.33 32.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 108.377 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.6 ttt85 -79.95 -30.18 39.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.342 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.52 155.3 69.03 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.244 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 154.06 42.0 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.478 1.778 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.72 107.57 0.35 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.354 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.47 -175.84 3.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.57 54.55 0.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.235 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.463 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -98.14 126.9 9.05 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.454 ' C ' ' H ' ' A' ' 38' ' ' LYS . 13.2 t -58.23 118.53 5.59 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.821 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -82.45 38.47 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 108.018 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.454 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -132.67 -49.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 109.353 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.542 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.2 p -110.28 -32.87 6.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 108.289 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.62 20.68 18.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.438 1.087 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.586 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -93.69 127.91 39.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.463 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 18.0 pt-20 -87.31 123.07 31.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.19 -45.96 1.06 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.509 1.13 . . . . 0.0 110.965 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.586 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 9.7 p-80 -104.75 171.9 7.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.592 0.819 . . . . 0.0 109.638 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.58 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 2.9 pt20 -123.78 163.54 20.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.06 -49.72 60.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.478 ' CB ' ' OE1' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -53.36 -31.09 42.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.01 34.46 5.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.524 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.0 t -53.09 112.06 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 108.245 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.53 HG22 ' CE1' ' A' ' 44' ' ' HIS . 11.5 t -78.29 1.98 19.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.463 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -154.9 65.71 0.66 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.4 ptt-85 -57.41 139.55 52.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.63 151.11 0.44 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.31 -60.46 2.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.155 . . . . 0.0 109.23 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 64.6 t30 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.357 -179.944 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 201' ' ' ' G' . . . . . 0.415 " H2'" ' N9 ' ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.358 -7.937 3 C1'-O4'-C4' 118.488 9.875 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . 0.419 " H2'" ' C8 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.352 -8.396 2 C1'-O4'-C4' 118.592 9.991 . 0.213 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 203' ' ' ' A' . . . . . 0.607 " H2'" ' C6 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.349 -8.687 3 C1'-O4'-C4' 118.444 9.826 . 0.141 1m . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 204' ' ' ' C' . . . . . 0.607 ' C6 ' " H2'" ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.336 -9.728 2 C1'-O4'-C4' 117.442 8.713 . 0.334 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 205' ' ' ' U' . . . . . 0.525 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.363 -7.477 3 C5'-C4'-O4' 94.996 -10.146 . 0.23 7a . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 206' ' ' ' A' . . . . . 0.512 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.214 -19.956 2 C5'-C4'-O4' 133.998 17.713 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 5 4 . 1 . 015 nuclear build full ' B' B ' 207' ' ' ' G' . . . . . 0.512 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.305 -12.316 3 C5'-C4'-O4' 134.515 18.082 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 015 nuclear build full ' B' B ' 208' ' ' ' C' . . . . . 0.499 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.103 -29.152 2 C5'-C4'-O4' 132.056 16.325 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 015 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.483 " C2'" H5'' ' B' ' 210' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.204 -20.765 2 C5'-C4'-O4' 133.146 17.104 OUTLIER-DELTA 0.0 OUTLIER beta 0.0 . . . . . . . . . . 5 4 . 1 . 015 nuclear build full ' B' B ' 210' ' ' ' G' . . . . . 0.807 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.204 -20.732 2 C5'-C4'-O4' 142.728 23.949 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 015 nuclear build full ' B' B ' 211' ' ' ' A' . . . . . 0.561 ' C6 ' ' HB1' ' A' ' 25' ' ' ALA . . . . . . . . 0 O4'--C4' 1.406 -3.902 3 C5'-C4'-O4' 146.929 26.95 OUTLIER-DELTA 0.0 OUTLIER '7D dist 9a' 0.0 . . . . . . . . . . 4 4 . 1 . 015 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . 0.587 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.348 -8.716 2 O4'-C4'-C3' 94.685 -7.725 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 015 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.604 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.265 -15.681 2 C1'-O4'-C4' 117.98 9.311 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 015 nuclear build full ' B' B ' 214' ' ' ' C' . . . . . 0.604 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.403 -4.132 2 C5'-C4'-O4' 129.319 14.371 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 015 nuclear build full ' B' B ' 215' ' ' ' U' . . . . . 0.566 ' O4 ' ' C4 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.129 -26.999 2 C5'-C4'-O4' 140.662 22.473 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 015 nuclear build full ' B' B ' 216' ' ' ' A' . . . . . 0.484 " H2'" " O4'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.286 -13.941 3 C1'-O4'-C4' 118.537 9.93 . 0.147 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.623 ' C5 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.38 -6.053 3 C5'-C4'-O4' 129.176 14.269 . 0.037 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 218' ' ' ' U' . . . . . 0.623 ' C4 ' ' C5 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.375 -6.538 3 C5'-C4'-O4' 131.058 15.613 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.498 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.293 -13.334 3 C5'-C4'-O4' 148.683 28.202 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 015 nuclear build full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.366 -7.267 2 O4'-C4'-C3' 94.764 -7.669 . 0.01 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 ttm . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.499 0.19 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -129.39 -47.13 1.19 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.37 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 80.89 67.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.157 . . . . 0.0 109.258 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.7 -31.42 71.3 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -57.92 -15.46 8.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 0.752 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.547 ' CZ ' ' HG3' ' A' ' 9' ' ' GLN . 32.6 t80 -58.34 -14.02 6.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.492 ' NH2' ' N6 ' ' B' ' 206' ' ' ' A' . 1.1 ptt180 -56.06 -17.67 7.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.923 ' ND2' HG11 ' A' ' 13' ' ' VAL . 14.8 p-10 -55.75 -18.69 8.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.36 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.547 ' HG3' ' CZ ' ' A' ' 6' ' ' PHE . 0.5 OUTLIER -60.43 -12.53 9.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.366 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.507 ' CZ ' ' OP2' ' B' ' 206' ' ' ' A' . 0.0 OUTLIER -68.8 -7.18 31.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 12' ' ' THR . 13.6 ttpp -126.52 39.55 3.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.767 ' O ' HG23 ' A' ' 12' ' ' THR . 3.7 t 35.18 48.89 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.923 HG11 ' ND2' ' A' ' 8' ' ' ASN . 11.6 m -37.3 154.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.235 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.25 133.37 50.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.383 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.2 t -67.71 112.21 4.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.451 1.094 . . . . 0.0 108.273 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.642 ' CE1' " H4'" ' B' ' 210' ' ' ' G' . 1.3 m-85 -75.4 4.12 7.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -96.97 -65.64 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 109.359 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 37' ' ' TRP . 26.3 p -84.38 -40.65 17.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.565 1.166 . . . . 0.0 108.315 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.545 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 104.64 28.88 5.53 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -98.4 -171.21 2.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -135.16 128.0 31.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.085 . . . . 0.0 110.311 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 122.73 11.67 5.34 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -173.78 157.78 3.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.619 0.834 . . . . 0.0 109.578 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.768 HG21 HD21 ' A' ' 8' ' ' ASN . 12.2 pt -110.9 159.41 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.561 ' HB1' ' C6 ' ' B' ' 211' ' ' ' A' . . . -49.73 -36.1 24.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.441 ' HB2' HD11 ' A' ' 24' ' ' ILE . 5.4 mmmt -59.05 -44.73 91.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -92.98 5.83 50.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.62 1.2 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.465 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 42.5 t -80.09 135.48 36.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 108.285 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -30.5 61.84 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.82 150.22 94.99 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 157.72 42.57 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.481 1.78 . . . . 0.0 110.952 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.46 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 0.2 OUTLIER -56.16 102.07 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -122.12 -177.63 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.594 1.184 . . . . 0.0 109.305 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.51 49.76 1.6 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.566 1.166 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.34 120.33 6.08 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.536 1.148 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.432 ' C ' ' H ' ' A' ' 38' ' ' LYS . 11.9 t -60.15 116.81 4.47 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.807 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -83.28 39.53 0.66 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.13 . . . . 0.0 107.979 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.432 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -131.96 -48.9 0.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.524 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 17.7 p -108.79 -33.03 7.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 108.262 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.15 25.21 11.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.557 1.16 . . . . 0.0 111.062 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.546 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -97.77 128.41 44.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 109.336 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -88.26 115.73 25.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 110.344 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 145.0 -50.4 0.64 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.539 1.149 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.546 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 20.1 p-80 -100.91 178.51 4.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 0.751 . . . . 0.0 109.656 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.576 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -131.03 163.86 26.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.343 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.6 ttp -52.23 -40.15 61.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -55.07 -33.48 62.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.394 1.059 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -123.9 39.85 3.87 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.476 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 35.0 t -57.81 112.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 108.255 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.5 t -83.92 4.74 28.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.417 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.411 ' HG3' ' CB ' ' A' ' 39' ' ' CYS . 12.2 pt-20 -162.9 84.67 0.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.37 148.89 47.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 110.321 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.412 ' O ' ' CD ' ' A' ' 38' ' ' LYS . 9.1 tp60 179.72 164.04 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -108.24 59.86 0.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.399 -4.477 3 C5'-C4'-O4' 131.616 16.011 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.377 -6.306 2 C1'-O4'-C4' 118.211 9.568 . 0.026 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear build full ' B' B ' 203' ' ' ' A' . . . . . 0.628 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.263 -15.827 2 C1'-O4'-C4' 119.657 11.174 . 0.342 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 204' ' ' ' C' . . . . . 0.628 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.345 -8.976 2 C1'-O4'-C4' 118.41 9.789 . 0.028 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 205' ' ' ' U' . . . . . 0.474 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.401 -4.292 3 C1'-O4'-C4' 116.82 8.022 . 0.385 7a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 206' ' ' ' A' . . . . . 0.745 ' H62' HH21 ' A' ' 7' ' ' ARG . . . . . . . . 1 O4'--C4' 1.205 -20.682 2 C1'-O4'-C4' 120.756 12.395 . 0.031 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 207' ' ' ' G' . . . . . 0.534 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.398 -4.594 3 C5'-C4'-O4' 126.791 12.565 . 0.039 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 208' ' ' ' C' . . . . . 0.47 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.279 -14.504 3 C1'-O4'-C4' 117.942 9.269 . 0.01 7a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.645 ' N2 ' ' C6 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.31 -11.941 2 C5'-C4'-O4' 136.407 19.433 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 016 nuclear build full ' B' B ' 210' ' ' ' G' . . . . . 0.834 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.072 -31.749 1 C1'-O4'-C4' 123.627 15.586 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 016 nuclear build full ' B' B ' 211' ' ' ' A' . . . . . 0.526 " H4'" ' OP2' ' B' ' 212' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.39 -5.282 1 C5'-C4'-O4' 98.688 -7.509 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 5 4 . 1 . 016 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . 0.581 " H4'" ' C8 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.127 -27.188 2 C1'-O4'-C4' 119.354 10.838 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 5 4 . 1 . 016 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.645 ' C6 ' ' N2 ' ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.248 -17.055 2 C1'-O4'-C4' 118.468 9.853 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 016 nuclear build full ' B' B ' 214' ' ' ' C' . . . . . 0.568 ' C4 ' ' O4 ' ' B' ' 215' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.402 -4.219 3 C5'-C4'-O4' 122.561 9.544 . 0.3 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 215' ' ' ' U' . . . . . 0.568 ' O4 ' ' C4 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.137 -26.31 2 C5'-C4'-O4' 141.097 22.783 OUTLIER-DELTA 0.024 1a . 0.0 . . . . . . . . . . 4 3 . 1 . 016 nuclear build full ' B' B ' 216' ' ' ' A' . . . . . 0.508 ' C8 ' " H2'" ' B' ' 215' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.312 -11.76 2 C1'-O4'-C4' 116.913 8.126 . 0.478 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.519 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.311 -11.862 3 C5'-C4'-O4' 125.3 11.5 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 218' ' ' ' U' . . . . . 0.519 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.389 -5.316 3 C5'-C4'-O4' 122.902 9.787 . 0.165 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.489 ' C4 ' ' N4 ' ' B' ' 220' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.313 -11.675 2 C5'-C4'-O4' 126.845 12.604 . 0.082 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 220' ' ' ' C' . . . . . 0.489 ' N4 ' ' C4 ' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.353 -8.31 2 C5'-C4'-O4' 150.845 29.747 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 3 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 mtm . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.455 0.169 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 79.7 51.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.3 mmtm 71.65 59.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.61 -27.88 61.86 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.115 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.501 ' CB ' ' OP2' ' B' ' 213' ' ' ' G' . 4.6 t30 -59.66 -16.29 25.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 0.774 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -60.16 -14.05 15.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.745 HH21 ' H62' ' B' ' 206' ' ' ' A' . 21.6 ptt-85 -60.62 -13.44 14.43 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.518 1.136 . . . . 0.0 110.251 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.914 ' ND2' HG11 ' A' ' 13' ' ' VAL . 20.7 p-10 -56.15 -18.78 11.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.353 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.553 ' HA ' HG22 ' A' ' 13' ' ' VAL . 1.6 mm-40 -59.8 -14.83 16.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.575 1.172 . . . . 0.0 110.278 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.678 HH21 ' HB2' ' A' ' 7' ' ' ARG . 5.7 ptp180 -59.96 -14.83 17.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.351 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.467 ' CG ' ' O ' ' A' ' 11' ' ' LYS . 5.6 ttpp -117.3 35.77 4.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.367 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.758 ' O ' HG23 ' A' ' 12' ' ' THR . 3.8 t 36.64 48.49 0.64 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 110.408 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.914 HG11 ' ND2' ' A' ' 8' ' ' ASN . 10.7 m -38.63 155.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.363 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -105.83 143.87 33.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.428 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 45.2 t -79.93 111.63 16.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 108.312 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.445 ' CD2' ' C6 ' ' B' ' 212' ' ' ' G' . 14.2 m-85 -72.21 -0.12 11.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -92.64 -68.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.478 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 26.5 p -82.44 -44.09 16.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 108.27 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.525 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 107.24 30.27 4.21 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.446 1.091 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -98.89 -172.15 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.367 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -134.43 127.11 30.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.396 1.06 . . . . 0.0 110.358 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.74 3.6 7.03 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.519 1.137 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 -166.03 160.22 16.31 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 0.79 . . . . 0.0 109.618 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.612 HG21 HD21 ' A' ' 8' ' ' ASN . 6.0 pt -112.47 161.26 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.8 -40.19 40.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.523 ' HB2' HD11 ' A' ' 24' ' ' ILE . 4.1 mmmt -58.82 -42.29 88.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -95.31 12.0 30.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 24' ' ' ILE . 44.1 t -84.6 134.22 34.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 108.362 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -30.98 56.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 110.345 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.01 158.74 24.09 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 148.99 35.97 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.441 1.759 . . . . 0.0 110.958 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 -58.62 110.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 110.371 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -142.83 -174.52 4.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.79 49.83 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.496 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -84.46 126.06 7.45 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.576 1.173 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.467 ' C ' ' H ' ' A' ' 38' ' ' LYS . 26.3 t -59.63 123.56 17.3 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.834 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -82.8 35.22 0.46 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.48 1.112 . . . . 0.0 108.009 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.2 OUTLIER -133.51 -49.86 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.544 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.4 p -109.98 -31.85 7.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 108.325 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.8 21.72 22.86 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.556 1.16 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.49 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 5.4 tptt -94.29 123.87 37.96 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.435 0.727 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.496 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 22.7 pt-20 -83.35 114.91 21.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.62 -52.91 0.53 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.444 1.09 . . . . 0.0 111.026 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.544 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 25.5 p-80 -98.48 174.46 6.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.42 0.718 . . . . 0.0 109.602 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.559 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 6.6 pt20 -121.97 159.86 26.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.381 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.6 tmm? -52.05 -40.22 60.78 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.48 1.112 . . . . 0.0 111.037 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.07 -33.74 63.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.574 1.171 . . . . 0.0 109.405 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -119.54 37.04 4.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.371 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 35.6 t -58.17 111.32 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.592 1.183 . . . . 0.0 108.281 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.0 t -80.77 4.72 18.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.393 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.458 ' HG3' ' CB ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -96.65 -58.5 2.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.339 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 68.68 77.18 0.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -170.03 177.12 4.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -149.56 155.6 40.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 47.8 t30 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.399 -4.488 3 C5'-C4'-O4' 131.235 15.739 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.376 -6.4 2 C1'-O4'-C4' 118.102 9.447 . 0.151 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' B' B ' 203' ' ' ' A' . . . . . 0.654 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.325 -10.667 3 C1'-O4'-C4' 118.59 9.988 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' B' B ' 204' ' ' ' C' . . . . . 0.654 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.399 -4.485 2 C1'-O4'-C4' 117.341 8.601 . 0.619 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' B' B ' 205' ' ' ' U' . . . . . 0.49 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.261 -15.992 2 C1'-O4'-C4' 119.289 10.765 . 0.254 7a . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' B' B ' 206' ' ' ' A' . . . . . 0.533 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.278 -14.601 3 C5'-C4'-O4' 126.177 12.126 . 0.085 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' B' B ' 207' ' ' ' G' . . . . . 0.533 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.303 -12.468 3 C5'-C4'-O4' 125.611 11.722 . 0.013 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' B' B ' 208' ' ' ' C' . . . . . 0.4 ' N3 ' ' N1 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.123 -27.476 1 C1'-O4'-C4' 120.936 12.596 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.496 " C3'" H5'' ' B' ' 210' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.368 -7.113 3 C5'-C4'-O4' 121.004 8.431 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear build full ' B' B ' 210' ' ' ' G' . . . . . 0.857 " H4'" ' CE1' ' A' ' 16' ' ' PHE . . . . . . . . 1 O4'--C4' 1.38 -6.051 2 C5'-C4'-O4' 151.342 30.102 OUTLIER-DELTA 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 5 4 . 1 . 017 nuclear build full ' B' B ' 211' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.108 2 C5'-C4'-O4' 139.019 21.299 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . 0.597 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.159 -24.489 2 C5'-C4'-O4' 94.766 -10.31 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 017 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.612 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.271 -15.198 2 C5'-C4'-O4' 130.419 15.157 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear build full ' B' B ' 214' ' ' ' C' . . . . . 0.612 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.395 -4.846 2 C5'-C4'-O4' 127.532 13.094 . 0.33 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' B' B ' 215' ' ' ' U' . . . . . 0.531 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.106 -28.945 2 C5'-C4'-O4' 138.727 21.09 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear build full ' B' B ' 216' ' ' ' A' . . . . . 0.467 " H2'" " O4'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.31 -11.893 3 C5'-C4'-O4' 122.871 9.765 . 0.404 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.535 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.4 -4.397 3 O4'-C4'-C3' 93.669 -8.451 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear build full ' B' B ' 218' ' ' ' U' . . . . . 0.535 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.36 -7.76 2 O4'-C4'-C3' 94.49 -7.864 . 0.059 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.508 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.401 -4.369 3 O4'-C4'-C3' 93.582 -8.513 . 0.454 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' B' B ' 220' ' ' ' C' . . . . . 0.424 ' N4 ' ' C4 ' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.399 -4.477 2 C1'-O4'-C4' 117.689 8.988 . 0.075 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.37 0 CA-C-O 120.423 0.154 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -46.67 172.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 110.293 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 72.71 60.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.343 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.89 -21.57 55.83 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.571 1.169 . . . . 0.0 110.923 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -61.6 -14.04 27.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -58.05 -20.4 38.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.93 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.52 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 6.0 mmp_? -59.32 -11.73 4.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.931 ' OD1' HG11 ' A' ' 13' ' ' VAL . 10.6 t-20 -58.03 -38.52 76.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.652 ' HA ' HG22 ' A' ' 13' ' ' VAL . 4.9 mp0 -62.25 -11.85 17.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.412 1.07 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.52 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 16.8 ptt85 -63.43 -10.8 18.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.496 ' CG ' ' O ' ' A' ' 11' ' ' LYS . 1.2 tttm -118.48 37.28 4.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.355 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.79 ' O ' HG23 ' A' ' 12' ' ' THR . 1.6 t 38.27 45.29 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.415 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.931 HG11 ' OD1' ' A' ' 8' ' ' ASN . 25.6 m -42.41 154.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.558 ' HD3' ' CH2' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -100.53 126.45 46.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.498 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 42.6 t -62.24 121.35 12.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 108.296 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.857 ' CE1' " H4'" ' B' ' 210' ' ' ' G' . 4.1 m-85 -82.5 14.59 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -113.79 -45.51 3.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 22.2 p -112.39 -37.74 4.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 108.312 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.498 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 110.15 -18.67 28.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.127 . . . . 0.0 111.009 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.55 136.71 56.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 0.729 . . . . 0.0 109.234 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.94 143.56 27.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.298 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.15 -40.62 1.7 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -130.79 157.6 42.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 109.623 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.765 ' CG2' HG21 ' A' ' 13' ' ' VAL . 16.1 pt -104.69 157.63 5.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.164 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.469 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -47.52 -35.78 9.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.445 ' HG3' ' C8 ' ' B' ' 212' ' ' ' G' . 1.9 mmmt -59.53 -47.41 85.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -93.26 10.25 32.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.469 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 43.7 t -80.89 137.3 36.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 108.345 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.77 -30.72 32.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.343 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.08 155.32 8.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 154.19 42.43 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.505 1.792 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.39 104.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.39 179.44 5.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.582 1.176 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.6 mtmt -148.93 54.11 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.439 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -101.38 125.95 8.74 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.426 ' C ' ' H ' ' A' ' 38' ' ' LYS . 18.9 t -59.49 118.79 6.45 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.808 ' CZ2' ' C5 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -84.21 37.7 0.63 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 0.0 107.997 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.426 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.3 OUTLIER -131.68 -48.84 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.519 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.6 p -109.25 -32.02 7.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 108.297 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.34 23.11 17.55 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.572 1.17 . . . . 0.0 110.958 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.523 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -96.73 129.88 44.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 0.742 . . . . 0.0 109.276 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.439 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -89.42 121.31 31.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 110.273 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.33 -48.35 0.84 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.585 1.178 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.523 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 17.8 p-80 -102.36 179.58 4.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 0.79 . . . . 0.0 109.555 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.58 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -130.08 161.37 31.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.294 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.4 ttp -50.7 -43.94 57.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 111.065 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -36.81 68.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -114.05 33.48 5.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.495 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 35.7 t -55.05 111.46 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 108.307 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.1 t -78.67 2.42 19.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.382 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -149.03 69.04 1.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.098 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -72.04 73.4 0.89 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.254 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -170.63 99.98 0.24 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -127.25 -61.88 1.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.396 -4.723 3 C5'-C4'-O4' 123.793 10.423 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.349 -8.7 2 C1'-O4'-C4' 118.746 10.163 . 0.118 1L . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear build full ' B' B ' 203' ' ' ' A' . . . . . 0.614 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.365 -7.354 2 C1'-O4'-C4' 117.87 9.188 . 0.527 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 204' ' ' ' C' . . . . . 0.614 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.28 -14.456 2 C1'-O4'-C4' 119.806 11.34 . 0.701 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 205' ' ' ' U' . . . . . 0.515 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.362 -7.568 3 O4'-C4'-C3' 94.119 -8.129 . 0.203 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 206' ' ' ' A' . . . . . 0.567 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.245 -17.329 2 C5'-C4'-O4' 134.937 18.383 OUTLIER-DELTA 0.032 1L . 0.0 . . . . . . . . . . 4 3 . 1 . 018 nuclear build full ' B' B ' 207' ' ' ' G' . . . . . 0.567 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.394 -4.9 3 C5'-C4'-O4' 134.984 18.417 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 018 nuclear build full ' B' B ' 208' ' ' ' C' . . . . . 0.503 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.162 -24.266 2 C5'-C4'-O4' 137.169 19.978 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 4 3 . 1 . 018 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.54 ' N2 ' ' C6 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.23 -18.614 1 C5'-C4'-O4' 143.745 24.675 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 018 nuclear build full ' B' B ' 210' ' ' ' G' . . . . . 0.812 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.349 -8.708 2 C5'-C4'-O4' 150.193 29.281 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 018 nuclear build full ' B' B ' 211' ' ' ' A' . . . . . 0.673 " H4'" ' CE2' ' A' ' 16' ' ' PHE . . . . . . . . 0 O4'--C4' 1.408 -3.742 2 C5'-C4'-O4' 142.76 23.972 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 018 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . 0.432 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.162 -24.281 1 C1'-O4'-C4' 116.609 7.787 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 5 4 . 1 . 018 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.607 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.216 -19.71 2 C1'-O4'-C4' 119.89 11.433 . 0.019 9a . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 214' ' ' ' C' . . . . . 0.607 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.402 -4.228 2 C1'-O4'-C4' 117.798 9.109 . 0.587 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 215' ' ' ' U' . . . . . 0.51 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.224 -19.047 1 C1'-O4'-C4' 119.161 10.623 . 0.384 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 216' ' ' ' A' . . . . . 0.496 ' C6 ' ' C6 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.335 -9.833 2 O4'-C4'-C3' 95.191 -7.363 . 0.182 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.674 ' C5 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.33 -10.23 3 C5'-C4'-O4' 124.932 11.237 . 0.111 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 218' ' ' ' U' . . . . . 0.674 ' C4 ' ' C5 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.261 -15.977 2 C5'-C4'-O4' 136.141 19.243 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 018 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.487 ' C6 ' " H2'" ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.264 -15.786 3 C5'-C4'-O4' 147.05 27.035 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 018 nuclear build full ' B' B ' 220' ' ' ' C' . . . . . 0.477 ' C6 ' " H2'" ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.304 -12.42 3 C1'-O4'-C4' 118.211 9.568 . 0.02 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.578 ' HE3' ' HB2' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.491 0.186 . . . . 0.0 111.019 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.578 ' HB2' ' HE3' ' A' ' 1' ' ' MET . 0.1 OUTLIER -128.11 78.01 1.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 110.352 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.5 69.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.67 -15.48 40.97 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.488 1.118 . . . . 0.0 111.022 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.503 ' CB ' ' OP2' ' B' ' 213' ' ' ' G' . 12.1 t30 -58.8 -19.55 42.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.431 ' CZ ' ' OD1' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -58.71 -14.22 7.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 111.072 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.46 ' CZ ' ' HA ' ' A' ' 5' ' ' ASN . 1.1 ptt85 -60.03 -10.16 3.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.96 ' ND2' HG11 ' A' ' 13' ' ' VAL . 22.4 p-10 -56.51 -31.64 64.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.561 ' HA ' HG22 ' A' ' 13' ' ' VAL . 54.8 mt-30 -55.62 -17.92 6.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.587 1.179 . . . . 0.0 110.272 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.92 -15.72 14.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.258 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.904 ' HE3' HG12 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.81 23.3 13.6 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.779 ' O ' HG23 ' A' ' 12' ' ' THR . 2.2 t 52.87 46.47 26.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.96 HG11 ' ND2' ' A' ' 8' ' ' ASN . 28.6 m -38.28 156.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -104.02 136.89 42.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.4 t -73.23 112.52 9.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 108.344 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.673 ' CE2' " H4'" ' B' ' 211' ' ' ' A' . 12.4 m-85 -77.56 5.09 9.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 110.957 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -96.84 -56.49 2.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.347 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.442 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 27.9 p -95.65 -44.4 7.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 108.332 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.6 30.38 3.55 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.557 1.161 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -100.17 -171.74 2.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 0.812 . . . . 0.0 109.241 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -134.7 131.35 37.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.45 15.77 6.32 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.429 1.081 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -176.16 158.93 2.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 0.729 . . . . 0.0 109.545 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.653 HG21 HD21 ' A' ' 8' ' ' ASN . 7.6 pt -110.05 162.17 7.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.451 ' HB3' ' C2 ' ' B' ' 211' ' ' ' A' . . . -49.37 -39.66 32.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.484 ' HB2' HD11 ' A' ' 24' ' ' ILE . 5.7 mmmt -59.82 -42.58 93.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.35 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.431 ' OD1' ' CZ ' ' A' ' 6' ' ' PHE . 88.2 m-20 -89.61 9.15 27.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.404 ' HB2' ' HA ' ' A' ' 25' ' ' ALA . 35.1 t -83.95 134.67 34.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 108.305 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -75.82 -26.35 57.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.84 158.92 81.78 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 149.83 37.52 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 111.029 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.54 106.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.265 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.76 -175.91 3.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.28 50.12 1.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.47 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -90.44 119.91 5.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.437 ' C ' ' H ' ' A' ' 38' ' ' LYS . 12.6 t -56.5 120.64 8.06 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.812 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -83.69 38.89 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 108.017 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.437 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -133.52 -49.4 0.84 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.545 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.6 p -110.22 -31.79 7.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 108.296 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.75 21.27 21.86 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.509 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -93.76 126.85 39.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.754 . . . . 0.0 109.327 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.47 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -86.91 112.81 22.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.168 . . . . 0.0 110.235 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 150.29 -53.74 0.5 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.545 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 27.0 p-80 -97.08 174.55 6.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.434 0.726 . . . . 0.0 109.589 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.543 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 7.3 pt20 -121.9 160.51 24.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 0.0 110.288 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -52.91 -37.47 60.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.54 -36.29 66.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.69 36.31 4.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.411 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 35.0 t -54.25 111.68 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 108.315 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.0 t -79.5 3.08 19.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 110.394 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.47 -42.46 7.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.233 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 65.87 171.97 0.23 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -39.59 -62.05 0.74 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.493 1.121 . . . . 0.0 110.364 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 53.99 178.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.3 t30 . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.413 3 C5'-C4'-O4' 130.711 15.365 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.352 -8.455 2 C1'-O4'-C4' 118.622 10.024 . 0.021 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' B' B ' 203' ' ' ' A' . . . . . 0.622 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.362 -7.553 3 C1'-O4'-C4' 117.91 9.233 . 0.61 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' B' B ' 204' ' ' ' C' . . . . . 0.622 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.306 -12.242 2 C1'-O4'-C4' 119.407 10.897 . 0.483 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' B' B ' 205' ' ' ' U' . . . . . 0.534 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.401 -4.363 3 C1'-O4'-C4' 117.575 8.861 . 0.123 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' B' B ' 206' ' ' ' A' . . . . . 0.461 " H2'" " O4'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.155 -24.795 2 C1'-O4'-C4' 121.93 13.7 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear build full ' B' B ' 207' ' ' ' G' . . . . . 0.518 " H2'" ' C6 ' ' B' ' 208' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.253 -16.653 3 C5'-C4'-O4' 132.664 16.76 OUTLIER-DELTA 0.01 1a . 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear build full ' B' B ' 208' ' ' ' C' . . . . . 0.518 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.08 -31.044 2 C5'-C4'-O4' 130.571 15.265 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.461 " C4'" ' C8 ' ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.26 -16.088 1 C5'-C4'-O4' 145.264 25.76 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear build full ' B' B ' 210' ' ' ' G' . . . . . 0.827 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.359 -7.859 2 C5'-C4'-O4' 150.959 29.828 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 019 nuclear build full ' B' B ' 211' ' ' ' A' . . . . . 0.491 ' C2 ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 1 O4'--C4' 1.401 -4.315 2 C5'-C4'-O4' 141.321 22.944 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 019 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . 0.503 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.394 -4.942 3 C1'-O4'-C4' 117.682 8.98 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.537 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.248 -17.071 2 C1'-O4'-C4' 119.97 11.522 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 019 nuclear build full ' B' B ' 214' ' ' ' C' . . . . . 0.54 " H2'" ' C6 ' ' B' ' 215' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.402 -4.22 3 C1'-O4'-C4' 117.777 9.086 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear build full ' B' B ' 215' ' ' ' U' . . . . . 0.54 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.14 -26.11 2 C1'-O4'-C4' 122.297 14.108 . 0.072 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' B' B ' 216' ' ' ' A' . . . . . 0.46 " H2'" " O4'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.271 -15.149 2 C1'-O4'-C4' 115.981 7.09 . 0.316 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.56 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.387 -5.464 3 C5'-C4'-O4' 124.942 11.244 . 0.058 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' B' B ' 218' ' ' ' U' . . . . . 0.56 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.344 -9.117 3 C1'-O4'-C4' 117.294 8.549 . 0.043 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.503 ' C6 ' " H2'" ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.343 -9.203 3 C1'-O4'-C4' 118.808 10.231 . 0.116 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' B' B ' 220' ' ' ' C' . . . . . 0.422 ' C5 ' " H2'" ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.327 -10.531 3 C5'-C4'-O4' 149.936 29.097 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.513 0.197 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -59.27 -177.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.332 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.44 60.25 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.87 -24.29 57.59 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.433 1.083 . . . . 0.0 110.998 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -57.12 -20.79 27.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 0.787 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.466 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 1.4 t80 -60.52 -15.49 27.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -13.32 12.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.43 1.081 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.901 ' ND2' HG11 ' A' ' 13' ' ' VAL . 13.4 p-10 -55.69 -19.2 9.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.347 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.61 ' HA ' HG22 ' A' ' 13' ' ' VAL . 35.2 mt-30 -59.54 -13.91 11.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.432 ' NH2' " H3'" ' B' ' 206' ' ' ' A' . 17.0 ptt180 -63.39 -11.75 25.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.414 1.071 . . . . 0.0 110.32 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' THR . 11.7 ttpp -122.92 39.24 4.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.763 ' O ' HG23 ' A' ' 12' ' ' THR . 3.4 t 36.78 48.92 0.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.901 HG11 ' ND2' ' A' ' 8' ' ' ASN . 10.2 m -37.66 154.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.537 1.148 . . . . 0.0 109.22 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.57 ' HE2' ' CZ3' ' A' ' 37' ' ' TRP . 0.8 OUTLIER -104.65 135.57 45.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.2 t -74.88 115.32 14.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 108.291 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.601 ' CE1' " H4'" ' B' ' 210' ' ' ' G' . 12.9 m-85 -79.91 10.49 4.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.597 1.186 . . . . 0.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -103.89 -50.33 3.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -103.94 -42.86 5.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 108.322 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.8 29.87 4.49 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.96 139.17 50.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 0.743 . . . . 0.0 109.262 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.6 140.82 31.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.69 2.91 8.66 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -175.97 158.66 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.766 . . . . 0.0 109.606 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.74 HG21 HD21 ' A' ' 8' ' ' ASN . 8.4 pt -109.69 158.03 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.491 ' HB3' ' C2 ' ' B' ' 211' ' ' ' A' . . . -48.34 -37.33 16.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.493 ' HB2' HD11 ' A' ' 24' ' ' ILE . 3.8 mmmt -59.08 -45.94 89.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.386 1.054 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -93.95 9.36 37.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 109.309 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.475 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 48.7 t -81.39 130.5 35.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 108.29 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -68.27 -32.09 72.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.34 154.09 44.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.383 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 155.73 42.93 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.485 1.781 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.19 105.55 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.248 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.9 -177.13 4.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -150.71 55.01 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.454 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -99.68 127.93 9.41 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.436 1.085 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.43 ' HA ' ' O6 ' ' B' ' 210' ' ' ' G' . 35.3 t -62.51 118.77 8.01 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.827 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -85.32 35.48 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.424 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -129.69 -48.35 1.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.542 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.6 p -109.92 -31.86 7.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 108.263 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.02 22.38 20.44 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.545 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.9 OUTLIER -96.28 125.9 41.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.339 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.454 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.4 OUTLIER -86.35 121.56 29.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.251 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 139.48 -47.75 0.89 Allowed Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.545 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 14.6 p-80 -103.03 -177.84 3.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 0.8 . . . . 0.0 109.577 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.576 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -133.54 158.8 42.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.248 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.4 ttt -50.68 -42.8 57.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.13 -37.6 69.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.18 34.29 5.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.526 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 33.8 t -52.47 112.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 108.318 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.0 t -78.0 1.69 20.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.425 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -149.55 68.88 1.03 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -43.89 135.21 4.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.346 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 178.95 142.49 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -119.6 -61.54 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.411 1.069 . . . . 0.0 109.371 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.396 -4.762 3 C1'-O4'-C4' 117.499 8.776 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.384 -5.766 2 C1'-O4'-C4' 118.067 9.408 . 0.43 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear build full ' B' B ' 203' ' ' ' A' . . . . . 0.613 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.345 -8.965 2 C1'-O4'-C4' 118.597 9.996 . 0.653 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' B' B ' 204' ' ' ' C' . . . . . 0.613 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.322 -10.89 3 C1'-O4'-C4' 119.114 10.571 . 0.853 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' B' B ' 205' ' ' ' U' . . . . . 0.512 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.401 -4.35 2 O4'-C4'-C3' 93.528 -8.551 . 0.17 7a . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' B' B ' 206' ' ' ' A' . . . . . 0.503 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.248 -17.09 3 C5'-C4'-O4' 126.299 12.213 . 0.079 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' B' B ' 207' ' ' ' G' . . . . . 0.503 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.339 -9.51 3 C5'-C4'-O4' 129.315 14.368 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 020 nuclear build full ' B' B ' 208' ' ' ' C' . . . . . 0.488 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.12 -27.752 2 C1'-O4'-C4' 122.771 14.634 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 4 3 . 1 . 020 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.41 HO2' " H5'" ' B' ' 210' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.404 -4.114 3 C5'-C4'-O4' 143.032 24.166 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 020 nuclear build full ' B' B ' 210' ' ' ' G' . . . . . 0.818 ' C5 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.229 -18.633 2 C5'-C4'-O4' 141.767 23.262 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 020 nuclear build full ' B' B ' 211' ' ' ' A' . . . . . 0.411 HO2' ' P ' ' B' ' 212' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.405 -3.998 2 C5'-C4'-O4' 141.563 23.116 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 020 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . 0.617 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.137 -26.353 2 C1'-O4'-C4' 120.151 11.723 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 020 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.607 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.263 -15.829 2 C5'-C4'-O4' 137.3 20.071 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 020 nuclear build full ' B' B ' 214' ' ' ' C' . . . . . 0.607 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.404 -4.125 3 C5'-C4'-O4' 126.813 12.581 . 0.029 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' B' B ' 215' ' ' ' U' . . . . . 0.541 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.201 -21.012 2 C5'-C4'-O4' 144.413 25.152 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 020 nuclear build full ' B' B ' 216' ' ' ' A' . . . . . 0.511 ' C6 ' ' C6 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.233 -18.371 2 C1'-O4'-C4' 119.894 11.438 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.576 ' C5 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.357 -7.98 3 C5'-C4'-O4' 130.425 15.161 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 020 nuclear build full ' B' B ' 218' ' ' ' U' . . . . . 0.576 ' C4 ' ' C5 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.303 -12.46 3 C1'-O4'-C4' 119.267 10.741 . 0.063 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.467 ' C6 ' " H2'" ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.28 -14.419 2 C1'-O4'-C4' 119.601 11.112 . 0.041 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.402 3 C1'-O4'-C4' 116.911 8.123 . 0.31 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mtt . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.585 0.231 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 75.43 154.07 0.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 110.35 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 68.67 56.47 0.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.4 ' CA ' ' OP2' ' B' ' 203' ' ' ' A' . . . -61.0 -29.13 70.07 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.46 1.1 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -57.97 -19.66 32.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -60.25 -14.65 18.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 33.3 ptt-85 -60.91 -11.42 7.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.916 ' ND2' HG11 ' A' ' 13' ' ' VAL . 19.8 p-10 -56.3 -22.81 32.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.6 ' HA ' HG22 ' A' ' 13' ' ' VAL . 6.2 mm-40 -60.87 -11.47 7.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.432 ' O ' ' CZ ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -71.54 -3.99 24.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.477 ' CG ' ' O ' ' A' ' 11' ' ' LYS . 4.0 tttt -126.66 40.97 3.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.78 ' O ' HG23 ' A' ' 12' ' ' THR . 2.6 t 35.5 47.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.561 1.163 . . . . 0.0 110.41 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.916 HG11 ' ND2' ' A' ' 8' ' ' ASN . 8.8 m -38.76 154.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -107.39 138.92 42.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.401 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 42.4 t -77.1 112.66 13.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 108.309 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.476 ' CD2' ' C6 ' ' B' ' 212' ' ' ' G' . 7.8 m-85 -76.74 7.57 4.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -100.82 -58.43 1.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.428 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 25.0 p -94.68 -42.75 8.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.41 1.069 . . . . 0.0 108.293 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 106.22 27.86 5.44 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.58 140.21 46.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 0.782 . . . . 0.0 109.34 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.81 141.79 30.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.86 -11.35 7.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.583 1.177 . . . . 0.0 111.047 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 -164.73 156.43 15.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 0.0 109.58 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.741 HG21 HD21 ' A' ' 8' ' ' ASN . 20.4 pt -106.17 160.42 5.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.578 ' HB1' HH21 ' A' ' 32' ' ' ARG . . . -48.07 -35.7 11.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.176 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -59.97 -46.91 87.91 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -94.01 14.24 20.39 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.44 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 43.4 t -85.59 135.66 33.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.569 1.168 . . . . 0.0 108.31 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.82 -31.62 57.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.578 1.174 . . . . 0.0 110.26 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.64 155.09 31.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.108 . . . . 0.0 109.297 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 154.68 42.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.474 1.776 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.578 HH21 ' HB1' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -55.82 101.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.355 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -124.14 179.35 4.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.419 1.074 . . . . 0.0 109.362 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -145.34 51.77 1.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -95.9 124.76 8.15 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.552 1.157 . . . . 0.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.435 ' HA ' ' O6 ' ' B' ' 210' ' ' ' G' . 44.1 t -62.15 119.24 8.57 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.818 ' CZ2' ' C5 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -86.32 32.91 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 108.014 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -127.57 -47.29 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.237 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.542 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.5 p -109.24 -32.13 7.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 108.266 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.53 22.49 21.48 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.453 1.096 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.508 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -96.18 128.64 43.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.543 0.79 . . . . 0.0 109.343 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.432 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 1.7 pt-20 -88.83 117.21 27.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.589 1.181 . . . . 0.0 110.357 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.56 -50.32 0.66 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.463 1.102 . . . . 0.0 110.967 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.542 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 21.4 p-80 -100.66 -176.69 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 0.735 . . . . 0.0 109.647 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.578 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -135.34 158.49 44.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.242 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.4 tmm? -52.11 -41.18 62.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.68 -33.38 60.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.382 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -124.86 39.86 3.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.466 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 33.7 t -56.56 112.0 1.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 108.354 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.0 t -74.43 -1.76 22.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.526 1.142 . . . . 0.0 110.44 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -144.28 58.33 1.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.411 1.069 . . . . 0.0 110.33 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -39.56 -56.85 1.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 110.35 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -161.76 158.54 25.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.92 105.3 0.18 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.135 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.324 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.396 -4.712 3 C5'-C4'-O4' 139.362 21.544 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 021 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.387 -5.532 2 C1'-O4'-C4' 118.012 9.347 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 2 . 1 . 021 nuclear build full ' B' B ' 203' ' ' ' A' . . . . . 0.599 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.351 -8.463 2 C1'-O4'-C4' 118.619 10.022 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 021 nuclear build full ' B' B ' 204' ' ' ' C' . . . . . 0.599 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.182 -22.574 2 C1'-O4'-C4' 121.506 13.229 . 0.615 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 021 nuclear build full ' B' B ' 205' ' ' ' U' . . . . . 0.549 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.256 -16.375 2 C5'-C4'-O4' 136.776 19.697 OUTLIER-DELTA 0.066 1L . 0.0 . . . . . . . . . . 4 3 . 1 . 021 nuclear build full ' B' B ' 206' ' ' ' A' . . . . . 0.543 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.264 -15.773 3 C5'-C4'-O4' 124.421 10.872 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 4 3 . 1 . 021 nuclear build full ' B' B ' 207' ' ' ' G' . . . . . 0.543 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.219 -19.536 2 C5'-C4'-O4' 133.369 17.263 OUTLIER-DELTA 0.025 1L . 0.0 . . . . . . . . . . 4 3 . 1 . 021 nuclear build full ' B' B ' 208' ' ' ' C' . . . . . 0.5 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.097 -29.665 2 C5'-C4'-O4' 134.734 18.238 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 021 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.626 ' N2 ' ' C6 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.245 -17.359 2 C1'-O4'-C4' 120.054 11.616 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 4 3 . 1 . 021 nuclear build full ' B' B ' 210' ' ' ' G' . . . . . 0.89 " H4'" ' CE1' ' A' ' 16' ' ' PHE . . . . . . . . 1 O4'--C4' 1.377 -6.368 2 C5'-C4'-O4' 151.31 30.079 OUTLIER-DELTA 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 5 4 . 1 . 021 nuclear build full ' B' B ' 211' ' ' ' A' . . . . . 0.669 " H4'" ' CE2' ' A' ' 16' ' ' PHE . . . . . . . . 1 O4'--C4' 1.401 -4.305 2 C5'-C4'-O4' 145.078 25.627 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 021 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . 0.543 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.126 -27.281 2 C1'-O4'-C4' 119.511 11.012 OUTLIER-DELTA 0.03 1e . 0.0 . . . . . . . . . . 4 3 . 1 . 021 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.626 ' C6 ' ' N2 ' ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.207 -20.488 2 C1'-O4'-C4' 120.004 11.56 . 0.233 9a . 0.0 . . . . . . . . . . 3 2 . 1 . 021 nuclear build full ' B' B ' 214' ' ' ' C' . . . . . 0.58 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.34 -9.421 2 C5'-C4'-O4' 131.708 16.077 . 0.343 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 021 nuclear build full ' B' B ' 215' ' ' ' U' . . . . . 0.503 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.17 -23.604 2 C5'-C4'-O4' 133.914 17.653 . 0.124 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 021 nuclear build full ' B' B ' 216' ' ' ' A' . . . . . 0.47 " H2'" " O4'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.286 -13.896 2 O4'-C4'-C3' 97.026 -6.053 . 0.228 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 021 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.553 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.399 -4.49 3 C5'-C4'-O4' 127.491 13.065 OUTLIER-DELTA 0.01 1a . 0.0 . . . . . . . . . . 4 3 . 1 . 021 nuclear build full ' B' B ' 218' ' ' ' U' . . . . . 0.553 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.299 -12.839 3 C1'-O4'-C4' 117.173 8.414 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 021 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.504 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.372 -6.745 3 O4'-C4'-C3' 94.275 -8.018 . 0.151 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 021 nuclear build full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.366 -7.278 3 C5'-C4'-O4' 93.166 -11.453 . 0.046 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.432 0.158 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -82.29 -174.64 5.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 110.336 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.91 55.54 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.416 1.073 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.72 -15.28 40.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.481 ' CB ' ' OP2' ' B' ' 213' ' ' ' G' . 3.0 t30 -57.41 -27.49 62.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 0.789 . . . . 0.0 109.291 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.682 ' HE2' HD22 ' A' ' 27' ' ' ASN . 0.2 OUTLIER -57.99 -14.76 7.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.376 1.047 . . . . 0.0 110.961 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.513 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -58.98 -10.35 2.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.94 ' ND2' HG11 ' A' ' 13' ' ' VAL . 32.0 p-10 -57.01 -37.52 71.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.448 ' N ' ' OD1' ' A' ' 8' ' ' ASN . 20.9 mt-30 -59.25 -10.23 2.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.33 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.513 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -57.34 -16.31 8.56 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -180.0 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.502 ' O ' ' HB ' ' A' ' 12' ' ' THR . 4.9 ttpp -110.27 -84.68 0.56 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.815 ' O ' HG23 ' A' ' 12' ' ' THR . 1.4 t 179.26 46.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.94 HG11 ' ND2' ' A' ' 8' ' ' ASN . 11.1 m -40.24 154.99 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.88 138.78 39.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.2 t -76.8 111.66 12.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 108.3 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.89 ' CE1' " H4'" ' B' ' 210' ' ' ' G' . 4.8 m-85 -75.3 4.16 7.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -96.47 -63.28 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.2 p -87.41 -42.92 12.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 108.279 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.424 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 107.53 29.49 4.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.429 1.081 . . . . 0.0 111.01 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -98.01 -173.43 2.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 0.76 . . . . 0.0 109.294 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -133.35 116.7 16.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 145.0 -32.96 1.65 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 27.5 p-80 -134.17 161.63 34.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 0.0 109.606 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.696 HG21 HD21 ' A' ' 8' ' ' ASN . 8.9 pt -109.22 161.08 7.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.453 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -49.62 -38.08 30.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.479 ' HB2' HD11 ' A' ' 24' ' ' ILE . 3.5 mmtt -59.21 -43.75 92.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.682 HD22 ' HE2' ' A' ' 6' ' ' PHE . 29.8 m120 -95.43 10.01 37.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.363 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.453 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 44.9 t -83.87 128.98 34.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 108.305 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -69.8 -27.86 65.24 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.41 153.97 85.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 153.68 41.93 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.481 1.78 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.41 106.86 0.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.241 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -126.33 -176.47 3.67 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.493 1.12 . . . . 0.0 109.344 179.926 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.5 mtmm -147.55 53.16 1.05 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.155 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.42 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -99.41 129.18 9.81 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.429 ' HA ' ' O6 ' ' B' ' 210' ' ' ' G' . 23.2 t -63.65 118.02 7.66 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.829 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -84.58 37.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 108.006 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.424 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -130.42 -48.37 1.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.54 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.5 p -109.65 -31.84 7.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 108.327 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.46 22.66 18.46 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -96.1 130.33 43.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 0.734 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.42 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 13.8 pt-20 -89.77 123.19 33.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.19 -45.79 1.07 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 12.0 p-80 -104.94 174.76 5.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.585 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.594 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -127.39 162.6 25.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.8 tmm? -50.57 -43.69 56.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -55.42 -36.78 66.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.63 30.85 7.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.507 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 33.5 t -50.23 112.17 0.64 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.43 1.081 . . . . 0.0 108.331 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.0 t -76.89 0.58 20.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 0.0 110.423 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -159.51 67.15 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.366 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -41.67 163.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.7 107.62 2.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -89.59 171.34 9.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 56.3 t30 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.225 -179.977 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.444 3 C5'-C4'-O4' 142.526 23.804 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 022 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . 0.503 " H2'" ' C8 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.324 -10.772 2 C1'-O4'-C4' 119.183 10.647 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 022 nuclear build full ' B' B ' 203' ' ' ' A' . . . . . 0.682 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.36 -7.748 3 C1'-O4'-C4' 118.355 9.728 . 0.085 1m . 0.0 . . . . . . . . . . 3 2 . 1 . 022 nuclear build full ' B' B ' 204' ' ' ' C' . . . . . 0.682 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.318 -11.288 3 C1'-O4'-C4' 119.24 10.711 . 0.374 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 022 nuclear build full ' B' B ' 205' ' ' ' U' . . . . . 0.49 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.399 -4.498 3 O4'-C4'-C3' 93.185 -8.797 . 0.311 7a . 0.0 . . . . . . . . . . 3 2 . 1 . 022 nuclear build full ' B' B ' 206' ' ' ' A' . . . . . 0.499 ' OP2' ' CZ ' ' A' ' 10' ' ' ARG . . . . . . . . 1 O4'--C4' 1.221 -19.298 2 C5'-C4'-O4' 132.88 16.914 OUTLIER-DELTA 0.072 1L . 0.0 . . . . . . . . . . 4 3 . 1 . 022 nuclear build full ' B' B ' 207' ' ' ' G' . . . . . 0.498 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.265 -15.669 3 C5'-C4'-O4' 133.49 17.35 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 022 nuclear build full ' B' B ' 208' ' ' ' C' . . . . . 0.509 " H2'" ' C8 ' ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.073 -31.661 2 C1'-O4'-C4' 123.579 15.532 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 022 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.509 ' C8 ' " H2'" ' B' ' 208' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.209 -20.316 2 C1'-O4'-C4' 119.821 11.356 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 022 nuclear build full ' B' B ' 210' ' ' ' G' . . . . . 0.943 " H4'" ' CE1' ' A' ' 16' ' ' PHE . . . . . . . . 1 O4'--C4' 1.341 -9.335 2 C5'-C4'-O4' 149.695 28.925 OUTLIER-DELTA 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 5 4 . 1 . 022 nuclear build full ' B' B ' 211' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.037 2 C5'-C4'-O4' 142.741 23.958 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 022 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . 0.572 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.099 -29.498 2 C1'-O4'-C4' 121.338 13.042 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 022 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.607 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.197 -21.317 2 C5'-C4'-O4' 139.553 21.681 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 022 nuclear build full ' B' B ' 214' ' ' ' C' . . . . . 0.607 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.366 -7.265 2 C5'-C4'-O4' 130.938 15.527 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 022 nuclear build full ' B' B ' 215' ' ' ' U' . . . . . 0.57 " H2'" ' C8 ' ' B' ' 216' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.083 -30.86 2 C5'-C4'-O4' 135.928 19.091 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 022 nuclear build full ' B' B ' 216' ' ' ' A' . . . . . 0.702 ' C6 ' ' C6 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.308 -12.071 3 C5'-C4'-O4' 95.501 -9.785 . 0.239 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 022 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.702 ' C6 ' ' C6 ' ' B' ' 216' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.332 -10.074 3 C5'-C4'-O4' 128.36 13.686 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 022 nuclear build full ' B' B ' 218' ' ' ' U' . . . . . 0.519 ' C4 ' ' C5 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.401 -4.306 3 O4'-C4'-C3' 93.395 -8.647 . 0.098 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 022 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.501 ' C6 ' " H2'" ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.314 -11.586 2 C5'-C4'-O4' 124.933 11.238 . 0.051 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 022 nuclear build full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.425 2 C1'-O4'-C4' 117.857 9.174 . 0.161 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.569 0.224 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.68 43.2 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 110.288 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt 71.15 61.8 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.82 -14.83 24.74 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.639 1.212 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -55.31 -20.37 11.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 0.799 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.737 ' CZ ' ' ND2' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -58.64 -14.27 7.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 111.048 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -11.65 4.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.928 ' ND2' HG11 ' A' ' 13' ' ' VAL . 20.6 p-10 -54.44 -19.38 5.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.377 1.048 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.476 ' HA ' HG22 ' A' ' 13' ' ' VAL . 35.4 mt-30 -63.34 -8.24 8.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.499 ' CZ ' ' OP2' ' B' ' 206' ' ' ' A' . 8.1 ptm180 -77.08 -4.26 43.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 12' ' ' THR . 19.8 ttpp -125.43 39.98 3.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.744 ' O ' HG23 ' A' ' 12' ' ' THR . 4.2 t 35.48 47.68 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.928 HG11 ' ND2' ' A' ' 8' ' ' ASN . 9.1 m -38.74 154.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.04 138.85 42.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.415 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 45.2 t -78.14 114.13 16.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 108.293 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.943 ' CE1' " H4'" ' B' ' 210' ' ' ' G' . 9.2 m-85 -79.12 9.57 4.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -103.66 -55.69 2.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.34 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.404 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 27.4 p -96.7 -41.88 8.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.421 1.076 . . . . 0.0 108.229 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.515 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 103.55 31.24 4.97 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 -179.931 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.94 140.14 48.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.736 . . . . 0.0 109.268 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -84.17 141.01 31.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.91 -25.96 4.87 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.439 1.087 . . . . 0.0 111.04 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.1 p-80 -149.71 157.67 43.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 0.736 . . . . 0.0 109.585 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.769 HG21 HD21 ' A' ' 8' ' ' ASN . 19.7 pt -105.48 161.75 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.48 ' HB1' HH21 ' A' ' 32' ' ' ARG . . . -48.31 -35.74 12.92 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -60.68 -46.38 90.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.737 ' ND2' ' CZ ' ' A' ' 6' ' ' PHE . 29.9 m120 -90.73 13.26 16.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.368 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.406 ' HB2' ' HA ' ' A' ' 25' ' ' ALA . 35.0 t -87.14 135.21 33.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 108.354 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -80.71 -24.73 38.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.137 . . . . 0.0 110.289 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.9 156.36 73.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 155.06 43.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.518 1.799 . . . . 0.0 111.041 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.48 HH21 ' HB1' ' A' ' 25' ' ' ALA . 5.0 mmp_? -57.85 104.92 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -130.7 -176.24 3.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -145.23 52.41 1.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.599 1.187 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.44 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -91.18 123.13 7.0 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.426 ' C ' ' H ' ' A' ' 38' ' ' LYS . 9.4 t -60.16 119.49 7.95 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.809 ' CZ2' ' C5 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -83.62 40.43 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 107.97 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.426 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -133.91 -49.05 0.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 0.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.533 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 12.7 p -109.97 -32.41 7.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 108.259 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.3 22.53 16.73 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.504 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 2.9 ttpt -95.37 129.05 42.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.367 0.686 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.44 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.8 OUTLIER -88.04 116.55 26.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 0.0 110.329 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 145.43 -51.17 0.61 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.533 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 23.2 p-80 -100.0 176.73 5.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 0.738 . . . . 0.0 109.631 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.599 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -129.03 164.09 23.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 110.258 -179.969 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.429 ' HB3' ' N7 ' ' B' ' 210' ' ' ' G' . 9.4 tpt -52.57 -40.68 62.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -52.99 -30.87 37.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -129.07 42.47 3.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.424 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 41.5 t -58.34 111.49 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 108.282 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 51' ' ' GLU . 8.8 t -77.21 -4.79 46.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.084 . . . . 0.0 110.443 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 50' ' ' THR . 14.3 pt-20 35.82 65.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.432 ' HB2' HG23 ' A' ' 50' ' ' THR . 0.4 OUTLIER -120.58 -51.05 2.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.092 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 57.09 69.07 0.78 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 0.0 110.328 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.69 146.94 31.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.246 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.6 p30 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.958 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.442 3 C5'-C4'-O4' 141.469 23.049 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.372 -6.748 2 C1'-O4'-C4' 118.303 9.67 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear build full ' B' B ' 203' ' ' ' A' . . . . . 0.648 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.228 -18.725 1 C1'-O4'-C4' 120.628 12.253 . 0.284 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear build full ' B' B ' 204' ' ' ' C' . . . . . 0.648 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.292 -13.394 2 C1'-O4'-C4' 118.946 10.384 . 0.033 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear build full ' B' B ' 205' ' ' ' U' . . . . . 0.529 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.401 -4.331 3 O4'-C4'-C3' 92.998 -8.93 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 023 nuclear build full ' B' B ' 206' ' ' ' A' . . . . . 0.64 ' C8 ' ' NH2' ' A' ' 10' ' ' ARG . . . . . . . . 1 O4'--C4' 1.164 -24.11 2 C5'-C4'-O4' 132.016 16.297 . 0.139 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear build full ' B' B ' 207' ' ' ' G' . . . . . 0.485 " H2'" ' C6 ' ' B' ' 208' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.34 -9.382 3 C5'-C4'-O4' 125.141 11.386 . 0.074 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear build full ' B' B ' 208' ' ' ' C' . . . . . 0.485 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.252 -16.718 3 C1'-O4'-C4' 119.004 10.449 . 0.02 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.551 ' N2 ' ' C6 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.299 -12.792 3 C1'-O4'-C4' 117.417 8.685 . 0.214 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear build full ' B' B ' 210' ' ' ' G' . . . . . 0.821 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.382 -5.95 2 C5'-C4'-O4' 152.124 30.66 OUTLIER-DELTA 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 5 4 . 1 . 023 nuclear build full ' B' B ' 211' ' ' ' A' . . . . . 0.515 ' C2 ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 O4'--C4' 1.411 -3.539 3 C5'-C4'-O4' 146.055 26.325 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 023 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . 0.563 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.175 -23.171 1 C1'-O4'-C4' 115.639 6.71 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 023 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.551 ' C6 ' ' N2 ' ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.215 -19.832 2 C1'-O4'-C4' 119.157 10.619 . 0.158 9a . 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear build full ' B' B ' 214' ' ' ' C' . . . . . 0.545 " H2'" ' C6 ' ' B' ' 215' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.401 -4.294 3 C1'-O4'-C4' 117.765 9.072 . 0.562 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear build full ' B' B ' 215' ' ' ' U' . . . . . 0.545 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.17 -23.595 2 C1'-O4'-C4' 121.773 13.525 . 0.128 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear build full ' B' B ' 216' ' ' ' A' . . . . . 0.476 " H2'" " O4'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.321 -11.027 3 O4'-C4'-C3' 95.645 -7.04 . 0.035 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.496 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.4 -4.434 3 C5'-C4'-O4' 129.507 14.505 OUTLIER-DELTA 0.01 1L . 0.0 . . . . . . . . . . 4 3 . 1 . 023 nuclear build full ' B' B ' 218' ' ' ' U' . . . . . 0.499 ' C4 ' ' N4 ' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.308 -12.048 2 C1'-O4'-C4' 117.988 9.32 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.499 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.364 -7.398 3 O4'-C4'-C3' 94.681 -7.728 . 0.364 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear build full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.381 3 C1'-O4'-C4' 116.92 8.134 . 0.115 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.525 0.203 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -38.91 -49.48 1.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.228 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.3 tttt 77.32 64.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.41 -30.14 67.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.543 1.152 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.404 ' CB ' ' OP2' ' B' ' 213' ' ' ' G' . 4.0 t30 -60.7 -15.57 30.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.43 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 22.8 t80 -60.61 -16.58 39.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.039 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.486 ' HE ' ' NH1' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -61.05 -11.32 8.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.945 ' ND2' HG11 ' A' ' 13' ' ' VAL . 24.1 p-10 -56.96 -21.29 29.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.42 ' HA ' HG22 ' A' ' 13' ' ' VAL . 15.4 mt-30 -62.93 -10.12 12.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.348 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.64 ' NH2' ' C8 ' ' B' ' 206' ' ' ' A' . 12.9 ptt-85 -75.49 -2.35 28.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.259 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 12' ' ' THR . 11.4 tttp -128.73 38.78 3.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.704 ' O ' HG23 ' A' ' 12' ' ' THR . 5.5 t 35.77 48.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.945 HG11 ' ND2' ' A' ' 8' ' ' ASN . 8.7 m -37.57 154.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.91 143.47 36.48 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 44.3 t -80.87 115.91 20.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 108.215 -179.918 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.509 ' CE1' " H4'" ' B' ' 210' ' ' ' G' . 6.9 m-85 -81.75 13.07 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -107.91 -49.0 3.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.419 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 26.0 p -104.41 -40.8 5.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 108.288 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.536 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 102.9 29.61 5.77 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.543 1.152 . . . . 0.0 110.952 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HB2' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -108.71 139.89 42.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 0.0 109.235 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.65 132.81 34.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 136.94 -43.43 1.23 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.116 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.5 p-80 -130.02 159.74 35.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 0.751 . . . . 0.0 109.598 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.768 HG21 HD21 ' A' ' 8' ' ' ASN . 12.5 pt -107.37 157.97 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.229 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.515 ' HB3' ' C2 ' ' B' ' 211' ' ' ' A' . . . -48.73 -35.6 14.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.442 ' HB2' HD11 ' A' ' 24' ' ' ILE . 12.6 mmmt -59.3 -46.33 88.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -96.81 14.59 24.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.483 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 53.9 t -83.56 137.47 33.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 108.295 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.56 -35.08 60.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.18 156.0 8.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 149.67 36.9 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.525 1.802 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.72 105.22 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -143.96 -174.99 4.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.353 179.921 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 39.4 mttt -135.0 47.02 2.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.497 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -72.21 123.84 9.66 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.412 1.07 . . . . 0.0 110.967 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.48 ' C ' ' H ' ' A' ' 38' ' ' LYS . 15.9 t -61.64 124.04 19.57 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.821 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -81.66 36.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 108.019 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.48 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -134.73 -50.32 0.78 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.552 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 9.7 p -111.55 -31.83 6.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 108.279 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.67 18.73 24.62 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.548 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -91.38 120.31 32.13 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 179.937 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.497 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -81.27 111.25 17.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 152.51 -54.69 0.45 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.552 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 19.6 p-80 -94.9 -178.59 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 0.734 . . . . 0.0 109.608 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.552 ' HG2' ' C4 ' ' B' ' 210' ' ' ' G' . 9.5 mt-30 -125.77 154.08 43.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 110.255 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.4 tmm? -49.92 -41.14 45.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -39.69 80.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.1 29.89 7.24 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.502 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.4 t -43.87 113.16 0.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 108.285 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.2 t -85.77 4.89 34.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.383 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -143.84 74.78 1.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.95 153.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.257 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.432 ' HB2' ' CE ' ' A' ' 38' ' ' LYS . 0.6 OUTLIER -118.79 177.69 4.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 0.0 110.378 179.895 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 60.86 77.06 0.34 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.997 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.401 3 C5'-C4'-O4' 141.953 23.395 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.366 -7.263 2 C1'-O4'-C4' 118.363 9.737 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear build full ' B' B ' 203' ' ' ' A' . . . . . 0.623 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.372 -6.728 3 C1'-O4'-C4' 118.068 9.409 . 0.151 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear build full ' B' B ' 204' ' ' ' C' . . . . . 0.623 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.201 -20.963 2 C1'-O4'-C4' 121.15 12.833 . 0.233 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear build full ' B' B ' 205' ' ' ' U' . . . . . 0.552 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.339 -9.463 2 C1'-O4'-C4' 116.475 7.638 . 0.27 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear build full ' B' B ' 206' ' ' ' A' . . . . . 0.548 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.304 -12.409 3 C5'-C4'-O4' 124.422 10.873 . 0.292 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear build full ' B' B ' 207' ' ' ' G' . . . . . 0.548 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.289 -13.666 3 C5'-C4'-O4' 123.313 10.081 . 0.041 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear build full ' B' B ' 208' ' ' ' C' . . . . . 0.506 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.333 -9.998 3 C1'-O4'-C4' 116.666 7.851 . 0.144 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.63 ' N2 ' ' C6 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.382 -5.905 2 C5'-C4'-O4' 141.883 23.345 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 024 nuclear build full ' B' B ' 210' ' ' ' G' . . . . . 0.809 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.137 -26.346 2 C5'-C4'-O4' 128.565 13.832 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 024 nuclear build full ' B' B ' 211' ' ' ' A' . . . . . 0.542 " H1'" ' C8 ' ' B' ' 212' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.405 -3.975 2 C5'-C4'-O4' 144.54 25.243 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 024 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . 0.565 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.075 -31.515 1 C1'-O4'-C4' 123.494 15.437 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 024 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.63 ' C6 ' ' N2 ' ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.248 -17.124 2 C5'-C4'-O4' 124.508 10.934 . 0.01 0a . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear build full ' B' B ' 214' ' ' ' C' . . . . . 0.595 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.403 -4.132 2 C1'-O4'-C4' 117.594 8.882 . 0.824 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear build full ' B' B ' 215' ' ' ' U' . . . . . 0.573 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.18 -22.756 1 C1'-O4'-C4' 119.182 10.646 . 0.339 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear build full ' B' B ' 216' ' ' ' A' . . . . . 0.534 " H2'" ' C8 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.386 -5.544 1 O4'-C4'-C3' 92.922 -8.984 . 0.092 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.554 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.4 -4.446 3 O4'-C4'-C3' 93.064 -8.883 . 0.011 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear build full ' B' B ' 218' ' ' ' U' . . . . . 0.554 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.312 -11.779 3 C1'-O4'-C4' 117.261 8.512 . 0.29 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.512 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.395 -4.822 2 C1'-O4'-C4' 117.882 9.202 . 0.807 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear build full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.395 -4.851 2 C1'-O4'-C4' 117.955 9.283 . 0.05 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 tpt . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.441 0.162 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.31 -26.99 43.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp 66.98 54.74 0.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.224 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.61 -24.66 57.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.447 1.092 . . . . 0.0 111.009 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -60.47 -15.58 28.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 0.781 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.518 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -59.95 -16.52 30.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 0.0 110.988 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.416 ' O ' ' HB3' ' A' ' 10' ' ' ARG . 1.5 ptm180 -60.58 -12.06 8.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.94 ' ND2' HG11 ' A' ' 13' ' ' VAL . 15.7 p-10 -56.88 -33.96 67.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.501 ' HA ' HG22 ' A' ' 13' ' ' VAL . 35.0 mt-30 -59.12 -11.38 3.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.248 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.442 ' CZ ' ' OP2' ' B' ' 206' ' ' ' A' . 0.0 OUTLIER -54.86 -18.34 4.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.931 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.473 ' O ' ' HB ' ' A' ' 12' ' ' THR . 15.3 ttpp -107.2 -84.52 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.799 ' O ' HG23 ' A' ' 12' ' ' THR . 1.3 t -179.93 45.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.94 HG11 ' ND2' ' A' ' 8' ' ' ASN . 13.4 m -42.23 154.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.79 144.33 33.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 23' ' ' HIS . 42.6 t -84.17 111.32 19.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 108.297 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.498 ' CD1' " O4'" ' B' ' 210' ' ' ' G' . 11.0 m-85 -77.48 6.76 6.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -98.98 -54.29 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.24 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.44 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 26.3 p -99.05 -45.06 6.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 108.313 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.97 29.9 3.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -111.3 141.62 44.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -86.69 139.12 31.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.16 -29.97 3.59 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.456 1.098 . . . . 0.0 111.002 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.405 ' O ' ' HB2' ' A' ' 15' ' ' CYS . 22.6 p-80 -145.21 158.53 43.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 0.78 . . . . 0.0 109.629 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.688 HG21 HD21 ' A' ' 8' ' ' ASN . 12.5 pt -107.05 161.87 5.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.42 1.075 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.724 ' HB1' HH21 ' A' ' 32' ' ' ARG . . . -48.5 -35.67 13.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.505 ' HB2' HD11 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -59.72 -46.3 89.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -95.44 16.0 18.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.439 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 42.2 t -87.43 137.51 32.28 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.447 1.092 . . . . 0.0 108.324 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.59 -32.75 58.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.45 156.82 20.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 151.04 39.03 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.724 HH21 ' HB1' ' A' ' 25' ' ' ALA . 9.6 mmp_? -57.0 103.22 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.342 179.924 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -134.81 -175.41 3.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.607 1.192 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.42 51.68 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.205 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.476 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -87.38 121.46 5.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.476 1.11 . . . . 0.0 111.05 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.428 ' C ' ' H ' ' A' ' 38' ' ' LYS . 18.1 t -58.67 120.45 8.95 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.809 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -84.61 38.04 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.9 OUTLIER -132.65 -49.59 0.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.531 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.6 p -109.72 -31.28 7.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 108.227 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.07 21.48 22.86 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.468 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -96.12 126.54 41.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 0.786 . . . . 0.0 109.323 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.476 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 12.9 pt-20 -85.98 123.65 31.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 139.16 -47.95 0.89 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.531 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 18.7 p-80 -103.15 177.59 4.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.566 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.567 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 0.1 OUTLIER -126.67 161.3 28.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.9 ttp -50.8 -40.98 56.79 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.574 1.171 . . . . 0.0 110.998 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -56.83 -38.15 72.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.381 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.47 33.36 5.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.368 179.897 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.489 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.1 t -50.64 112.01 0.63 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.079 . . . . 0.0 108.311 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.8 p -78.24 2.13 19.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 110.374 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -122.74 -96.75 0.46 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.429 1.08 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.32 102.32 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.589 1.18 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.53 148.49 2.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.393 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.65 147.66 25.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.1 p30 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.288 179.979 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.348 -8.764 3 C1'-O4'-C4' 118.685 10.094 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 025 nuclear build full ' B' B ' 202' ' ' ' G' . . . . . 0.4 " O3'" ' OE1' ' A' ' 2' ' ' GLN . . . . . . . . 1 O4'--C4' 1.362 -7.61 2 C1'-O4'-C4' 118.407 9.786 . 0.525 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 025 nuclear build full ' B' B ' 203' ' ' ' A' . . . . . 0.623 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.313 -11.708 3 C1'-O4'-C4' 118.884 10.316 . 0.18 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 025 nuclear build full ' B' B ' 204' ' ' ' C' . . . . . 0.623 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.356 -8.064 2 C1'-O4'-C4' 117.941 9.267 . 0.351 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 025 nuclear build full ' B' B ' 205' ' ' ' U' . . . . . 0.514 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.329 -10.358 2 C1'-O4'-C4' 118.6 10.001 . 0.259 7a . 0.0 . . . . . . . . . . 3 2 . 1 . 025 nuclear build full ' B' B ' 206' ' ' ' A' . . . . . 0.54 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.2 -21.087 2 C5'-C4'-O4' 128.148 13.534 . 0.124 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 025 nuclear build full ' B' B ' 207' ' ' ' G' . . . . . 0.54 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.28 -14.452 3 C5'-C4'-O4' 129.545 14.532 . 0.015 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 025 nuclear build full ' B' B ' 208' ' ' ' C' . . . . . 0.483 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.315 -11.53 3 C1'-O4'-C4' 117.905 9.227 . 0.01 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 025 nuclear build full ' B' B ' 209' ' ' ' G' . . . . . 0.48 ' N2 ' ' C6 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.402 -4.287 2 C5'-C4'-O4' 141.947 23.391 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 025 nuclear build full ' B' B ' 210' ' ' ' G' . . . . . 0.818 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.174 -23.24 2 C5'-C4'-O4' 133.8 17.572 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 025 nuclear build full ' B' B ' 211' ' ' ' A' . . . . . 0.48 ' C2 ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 O4'--C4' 1.408 -3.769 2 C5'-C4'-O4' 140.681 22.486 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 025 nuclear build full ' B' B ' 212' ' ' ' G' . . . . . 0.589 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.085 -30.655 1 C1'-O4'-C4' 122.326 14.14 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 025 nuclear build full ' B' B ' 213' ' ' ' G' . . . . . 0.579 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.297 -12.967 2 C1'-O4'-C4' 117.81 9.122 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 025 nuclear build full ' B' B ' 214' ' ' ' C' . . . . . 0.579 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.352 -8.423 2 C1'-O4'-C4' 118.615 10.016 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 025 nuclear build full ' B' B ' 215' ' ' ' U' . . . . . 0.579 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.144 -25.735 1 C1'-O4'-C4' 120.498 12.109 . 0.298 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 025 nuclear build full ' B' B ' 216' ' ' ' A' . . . . . 0.5 ' C6 ' ' C6 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.356 -8.078 2 O4'-C4'-C3' 94.252 -8.034 . 0.155 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 025 nuclear build full ' B' B ' 217' ' ' ' G' . . . . . 0.527 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.402 -4.253 3 C5'-C4'-O4' 122.979 9.842 . 0.068 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 025 nuclear build full ' B' B ' 218' ' ' ' U' . . . . . 0.527 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.32 -11.095 3 C5'-C4'-O4' 127.249 12.892 . 0.063 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 025 nuclear build full ' B' B ' 219' ' ' ' C' . . . . . 0.506 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.376 -6.432 2 C1'-O4'-C4' 118.198 9.554 . 0.269 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 025 nuclear build full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.399 -4.537 2 C1'-O4'-C4' 117.857 9.175 . 0.11 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.448 0.166 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.4 ' OE1' " O3'" ' B' ' 202' ' ' ' G' . 33.2 mt-30 -77.06 -66.7 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 77.32 64.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.352 -179.913 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.481 ' O ' ' CZ ' ' A' ' 7' ' ' ARG . . . -58.55 -29.58 64.04 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -59.64 -17.52 34.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 109.293 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -60.85 -15.83 34.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.481 ' CZ ' ' O ' ' A' ' 4' ' ' GLY . 16.0 mtm105 -59.41 -14.73 13.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.916 ' ND2' HG11 ' A' ' 13' ' ' VAL . 15.2 p-10 -55.78 -18.87 9.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 109.323 179.926 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.545 ' HA ' HG22 ' A' ' 13' ' ' VAL . 4.6 mm-40 -61.03 -12.06 10.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.229 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.458 ' NE ' ' OP2' ' B' ' 206' ' ' ' A' . 6.5 ptm180 -67.57 -8.23 32.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 12' ' ' THR . 6.7 ttpt -126.1 39.27 3.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.413 1.07 . . . . 0.0 109.328 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.756 ' O ' HG23 ' A' ' 12' ' ' THR . 4.8 t 36.33 49.1 0.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.385 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.916 HG11 ' ND2' ' A' ' 8' ' ' ASN . 7.8 m -37.32 154.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.67 136.62 47.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 44.7 t -75.06 109.37 8.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 108.285 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.589 ' CD1' " O4'" ' B' ' 210' ' ' ' G' . 11.6 m-85 -73.56 4.17 5.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -95.33 -64.48 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.489 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 27.0 p -89.54 -42.99 11.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 108.305 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 107.57 28.63 4.75 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.127 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.72 138.35 47.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.73 138.23 32.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.1 -1.99 8.38 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 22.9 p-80 -170.36 157.72 6.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 0.779 . . . . 0.0 109.601 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.762 HG21 HD21 ' A' ' 8' ' ' ASN . 13.8 pt -109.74 160.76 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.412 1.07 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.48 ' HB3' ' C2 ' ' B' ' 211' ' ' ' A' . . . -49.27 -36.85 21.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.408 ' HB2' HD11 ' A' ' 24' ' ' ILE . 4.7 mmmt -59.33 -44.77 92.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -97.25 13.27 30.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.214 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.48 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 52.6 t -84.0 131.92 34.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 108.261 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -33.52 73.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.46 157.0 38.53 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 149.92 36.93 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.802 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.9 mmm-85 -56.36 109.81 0.67 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 110.352 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -140.97 -176.04 4.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 109.34 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -142.17 50.71 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.459 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -87.06 119.95 5.36 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.444 ' C ' ' H ' ' A' ' 38' ' ' LYS . 34.6 t -58.02 120.73 9.07 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.818 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -84.43 35.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.97 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -131.15 -49.05 1.01 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.24 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.557 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.4 p -110.24 -31.84 7.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 108.265 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.25 21.26 25.42 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.448 1.093 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -92.31 120.44 32.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 109.331 179.942 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.459 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -81.05 113.76 19.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 110.343 179.996 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.21 -52.33 0.54 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 17.0 p-80 -98.27 179.58 4.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 109.613 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.573 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -128.24 161.31 29.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.9 tpt -52.36 -45.63 65.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -31.28 59.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -121.75 37.26 4.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.497 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 33.6 t -50.34 112.27 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 108.219 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 40.0 p -77.48 1.24 19.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.415 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -169.32 88.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' A' ' 52' ' ' ARG . 5.5 ptt180 -73.35 106.57 5.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.107 . . . . 0.0 110.264 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.434 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.5 OUTLIER 176.07 158.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.225 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 53' ' ' GLN . . . 67.98 175.17 0.27 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 t30 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.997 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 t30 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -60.99 -15.46 31.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 111.074 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.6 ptt85 -61.72 -12.47 16.76 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.929 ' ND2' HG11 ' A' ' 13' ' ' VAL . 21.3 p-10 -57.19 -20.82 29.01 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.464 1.102 . . . . 0.0 109.346 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.468 ' HA ' HG22 ' A' ' 13' ' ' VAL . 5.2 mt-30 -60.94 -13.09 13.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.274 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.3 -5.05 29.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.172 . . . . 0.0 110.263 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 12' ' ' THR . 15.6 ttpp -126.24 38.06 4.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.258 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.774 ' O ' HG23 ' A' ' 12' ' ' THR . 3.3 t 35.99 48.17 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 110.423 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.929 HG11 ' ND2' ' A' ' 8' ' ' ASN . 8.9 m -37.99 154.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.24 138.37 40.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 42.4 t -76.64 112.68 13.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 108.285 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -76.0 4.28 8.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -97.03 -63.98 1.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.442 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 25.5 p -86.62 -41.34 14.33 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.533 1.146 . . . . 0.0 108.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.538 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 104.72 29.01 5.46 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.037 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.33 -173.39 2.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 0.787 . . . . 0.0 109.352 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -133.23 121.41 22.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.43 -10.23 3.78 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.6 p-80 -158.71 156.89 30.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 0.771 . . . . 0.0 109.546 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.78 HG21 HD21 ' A' ' 8' ' ' ASN . 18.8 pt -106.9 161.96 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.463 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -49.83 -35.74 24.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.414 ' HA ' ' NH2' ' A' ' 32' ' ' ARG . 5.5 mmmt -59.93 -44.43 94.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.423 1.077 . . . . 0.0 109.279 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -96.81 12.82 30.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.463 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 46.2 t -85.01 135.3 34.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 108.254 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.66 -32.31 62.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.322 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.88 153.99 50.93 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 152.83 41.55 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 111.043 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.414 ' NH2' ' HA ' ' A' ' 26' ' ' LYS . 2.5 mpt_? -55.06 106.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -134.54 -176.69 4.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -144.36 51.76 1.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.445 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -90.7 118.68 5.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.577 1.173 . . . . 0.0 111.057 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.432 ' C ' ' H ' ' A' ' 38' ' ' LYS . 11.5 t -55.74 120.4 7.24 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.553 ' CE3' ' HG3' ' A' ' 46' ' ' MET . 0.0 OUTLIER -83.7 39.46 0.68 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 0.0 107.999 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.445 ' CG ' ' SD ' ' A' ' 46' ' ' MET . 1.5 tmtm? -133.83 -49.14 0.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.556 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 12.6 p -109.64 -32.07 7.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 108.286 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.19 22.63 19.29 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.438 1.086 . . . . 0.0 111.063 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.528 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 9.2 tttt -94.44 128.35 40.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 0.751 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.445 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.4 OUTLIER -87.74 113.12 23.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.08 . . . . 0.0 110.268 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 149.61 -53.26 0.51 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.556 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 23.3 p-80 -96.97 179.83 4.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.58 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -129.46 164.57 23.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.553 ' HG3' ' CE3' ' A' ' 37' ' ' TRP . 0.1 OUTLIER -51.35 -46.03 62.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 111.022 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp -54.93 -33.32 62.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.82 34.01 5.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.457 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 36.6 t -57.58 110.89 0.96 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 0.0 108.296 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.434 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.9 t30 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -59.85 -14.21 14.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.421 ' HB3' ' NH2' ' A' ' 10' ' ' ARG . 85.7 mtm-85 -61.25 -11.92 11.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.925 ' ND2' HG11 ' A' ' 13' ' ' VAL . 25.9 p-10 -56.66 -19.94 18.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.427 ' HA ' HG22 ' A' ' 13' ' ' VAL . 22.4 mt-30 -61.6 -12.84 17.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.421 ' NH2' ' HB3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -65.69 -15.6 62.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 12' ' ' THR . 10.2 ttmm -117.05 35.14 4.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.764 ' O ' HG23 ' A' ' 12' ' ' THR . 4.5 t 36.69 49.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.405 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.925 HG11 ' ND2' ' A' ' 8' ' ' ASN . 9.1 m -37.17 154.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.37 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.11 140.85 37.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.352 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.407 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 42.0 t -75.74 115.79 15.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 108.371 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -79.36 9.49 4.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.958 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -103.11 -58.94 1.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.469 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 25.3 p -92.72 -38.41 11.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 108.309 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.459 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 102.45 27.6 6.75 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.55 1.156 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -94.31 -173.94 3.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 0.779 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -134.16 119.94 19.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.79 -8.62 4.23 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.5 p-80 -156.76 157.73 35.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 109.549 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.683 HG21 HD21 ' A' ' 8' ' ' ASN . 14.3 pt -108.43 158.65 8.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.472 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -49.09 -35.62 16.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.412 ' HB2' HD11 ' A' ' 24' ' ' ILE . 13.2 mmmt -59.56 -45.7 91.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -94.76 11.22 32.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.472 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 48.2 t -83.49 129.58 34.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 108.334 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -71.86 -30.33 65.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 110.379 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.44 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . . . -57.61 159.25 9.76 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 144.31 29.9 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.622 1.854 . . . . 0.0 110.946 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.5 mmm-85 -57.03 108.32 0.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.17 . . . . 0.0 110.301 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -141.83 -175.12 4.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -138.76 48.94 1.89 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.514 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -82.74 116.81 4.28 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.475 1.11 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.444 ' C ' ' H ' ' A' ' 38' ' ' LYS . 26.1 t -54.95 122.61 11.25 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.469 ' CD1' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -84.21 36.23 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -132.78 -49.42 0.89 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.155 . . . . 0.0 109.331 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.544 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.0 p -110.29 -30.9 7.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 108.28 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.59 22.41 24.05 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -99.02 119.37 37.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.514 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 13.0 pt-20 -79.73 121.99 26.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.37 -51.12 0.64 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.491 1.12 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.544 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 25.8 p-80 -99.39 -177.44 3.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 0.766 . . . . 0.0 109.642 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -126.79 154.76 43.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.1 ttp -50.56 -39.95 50.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.57 -39.63 77.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -111.5 32.08 5.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.447 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.6 t -45.31 111.8 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 108.33 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.7 p . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.343 -179.945 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.8 t30 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.576 ' CE1' ' OD1' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -58.58 -13.85 6.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 111.048 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -60.09 -10.15 4.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.933 ' ND2' HG11 ' A' ' 13' ' ' VAL . 22.2 p-10 -56.02 -24.4 38.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.359 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.568 ' HA ' HG22 ' A' ' 13' ' ' VAL . 32.7 mt-30 -59.24 -13.75 8.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.9 ptm85 -67.53 -8.71 36.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 11' ' ' LYS . 11.1 tttp -123.65 38.73 4.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.778 ' O ' HG23 ' A' ' 12' ' ' THR . 2.6 t 36.34 48.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.584 1.178 . . . . 0.0 110.389 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.933 HG11 ' ND2' ' A' ' 8' ' ' ASN . 6.4 m -37.63 154.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -102.64 140.23 37.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 42.5 t -80.81 109.69 15.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 1.176 . . . . 0.0 108.297 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -73.65 -0.58 15.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.953 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -91.08 -67.49 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.369 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -81.69 -44.27 17.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.404 1.065 . . . . 0.0 108.301 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.531 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 107.35 30.47 4.11 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.75 -172.55 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -132.4 129.57 39.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 110.326 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.0 -0.86 6.7 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.5 p-80 -168.54 156.36 8.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.418 0.717 . . . . 0.0 109.651 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.716 HG21 HD21 ' A' ' 8' ' ' ASN . 12.9 pt -107.17 165.03 4.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.601 1.188 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.43 ' O ' ' NH2' ' A' ' 32' ' ' ARG . . . -49.36 -35.41 18.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.17 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.475 ' HB2' HD11 ' A' ' 24' ' ' ILE . 6.5 mmtt -60.29 -45.45 93.32 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.576 ' OD1' ' CE1' ' A' ' 6' ' ' PHE . 80.4 m-20 -92.77 11.95 25.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.407 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 40.8 t -86.96 132.73 33.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 108.378 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 -75.76 -26.07 57.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 110.288 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.03 152.9 90.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 157.28 42.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.529 1.805 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.43 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -54.74 106.22 0.2 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.32 177.08 7.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.52 51.89 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.477 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -94.85 128.57 9.56 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.457 ' C ' ' H ' ' A' ' 38' ' ' LYS . 18.6 t -59.98 120.36 9.52 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.531 ' CG ' ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -82.98 36.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.457 ' H ' ' C ' ' A' ' 36' ' ' CYS . 2.4 tmtp? -132.55 -49.58 0.91 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.563 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 9.1 p -110.28 -32.78 6.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 108.352 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.49 18.92 24.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.564 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -91.78 126.82 37.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.783 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.477 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 15.8 pt-20 -86.14 121.71 29.13 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.76 -47.59 0.91 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 11.5 p-80 -102.77 168.46 9.22 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.513 0.772 . . . . 0.0 109.556 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -116.64 160.43 20.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.264 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.6 ttm -51.72 -40.11 59.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -56.6 -37.98 71.4 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.549 1.156 . . . . 0.0 109.367 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -111.69 29.92 7.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.42 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 25.9 t -45.35 115.84 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 108.271 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 42.5 p . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.575 1.172 . . . . 0.0 110.42 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 t30 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -59.94 -14.71 17.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.488 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -59.62 -14.51 13.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.932 ' ND2' HG11 ' A' ' 13' ' ' VAL . 30.4 p-10 -57.72 -36.73 72.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.424 ' N ' ' OD1' ' A' ' 8' ' ' ASN . 65.6 mt-30 -59.21 -11.67 4.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.488 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 8.8 ptt85 -55.61 -17.39 5.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 110.198 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.468 ' O ' ' HB ' ' A' ' 12' ' ' THR . 12.1 ttpp -108.82 -85.84 0.52 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.805 ' O ' HG23 ' A' ' 12' ' ' THR . 1.2 t -179.85 45.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.377 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.932 HG11 ' ND2' ' A' ' 8' ' ' ASN . 11.2 m -40.15 154.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.39 143.46 32.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.401 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 43.8 t -83.29 111.81 19.32 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.536 1.147 . . . . 0.0 108.333 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.461 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 16.6 m-85 -75.76 3.11 10.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -94.96 -61.96 1.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 26.1 p -88.99 -43.86 10.83 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.503 1.127 . . . . 0.0 108.338 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.531 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 107.9 30.36 4.0 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.98 -174.52 2.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -132.91 118.28 18.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.4 -26.93 2.27 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.3 p-80 -140.32 158.54 43.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.572 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.756 HG21 HD21 ' A' ' 8' ' ' ASN . 15.4 pt -107.86 161.11 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.738 ' HB1' HH21 ' A' ' 32' ' ' ARG . . . -49.63 -36.62 25.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -59.59 -43.89 93.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -97.38 12.21 33.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.477 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 46.7 t -84.01 135.44 34.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.42 -32.55 60.76 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.57 1.169 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.01 156.48 13.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 109.326 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.12 154.12 41.71 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.494 1.786 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.738 HH21 ' HB1' ' A' ' 25' ' ' ALA . 7.9 mmp_? -56.67 104.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -136.91 -175.94 4.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.0 tttm -147.93 54.64 1.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.257 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.521 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -90.71 133.25 11.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.46 ' C ' ' H ' ' A' ' 38' ' ' LYS . 39.8 t -61.93 123.95 19.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.531 ' CG ' ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -83.77 32.5 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 108.07 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.46 ' H ' ' C ' ' A' ' 36' ' ' CYS . 1.3 tptt -131.61 -49.03 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.532 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 12.9 p -110.83 -33.29 6.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 108.272 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.39 22.13 17.72 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.486 1.117 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.524 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 1.2 tptt -94.75 123.41 38.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.521 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -82.57 121.19 26.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.36 -48.64 0.82 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.532 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 14.9 p-80 -102.54 169.32 8.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 109.619 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -116.98 156.23 27.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.422 ' HG3' ' N ' ' A' ' 47' ' ' LYS . 3.2 ppp? -50.99 -32.03 19.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.536 1.148 . . . . 0.0 111.047 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 46' ' ' MET . 0.0 OUTLIER -57.75 -42.12 83.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -110.83 27.81 9.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 32.5 t -43.27 111.93 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 108.309 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.0 p . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 110.395 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.3 t30 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.435 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 4.8 t80 -61.21 -16.84 49.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.417 ' HB2' ' NH1' ' A' ' 7' ' ' ARG . 8.2 mtm105 -60.69 -13.06 12.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.254 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.916 ' ND2' HG11 ' A' ' 13' ' ' VAL . 20.2 p-10 -56.41 -18.78 12.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.388 1.055 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.407 ' HA ' HG22 ' A' ' 13' ' ' VAL . 17.8 mt-30 -61.82 -11.9 14.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 ptm85 -78.06 1.84 19.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.263 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 12' ' ' THR . 9.5 ttpp -130.11 38.33 3.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.772 ' O ' HG23 ' A' ' 12' ' ' THR . 3.1 t 35.6 47.79 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.573 1.171 . . . . 0.0 110.451 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.916 HG11 ' ND2' ' A' ' 8' ' ' ASN . 10.7 m -40.07 154.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.23 137.44 45.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.587 1.18 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 23' ' ' HIS . 44.3 t -77.83 112.61 14.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 108.277 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.482 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 25.4 m-85 -76.85 6.47 6.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -99.43 -57.78 2.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 37' ' ' TRP . 28.3 p -94.96 -43.39 8.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 108.244 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.501 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 105.95 31.61 4.1 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.428 1.08 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -117.2 141.48 48.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 109.338 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.79 146.4 27.38 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.28 -27.45 5.81 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 110.951 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' A' ' 15' ' ' CYS . 21.1 p-80 -147.27 157.74 43.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 0.773 . . . . 0.0 109.59 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.835 HG21 HD21 ' A' ' 8' ' ' ASN . 15.8 pt -107.19 159.6 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.449 ' O ' ' NH2' ' A' ' 32' ' ' ARG . . . -46.58 -37.12 7.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -59.87 -47.84 84.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.249 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -91.41 12.07 21.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.414 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 48.4 t -83.59 137.07 33.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 108.283 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -29.69 39.43 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.436 1.085 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.08 155.7 42.83 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.234 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 157.14 43.15 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.507 1.793 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.449 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 6.4 mmp_? -57.38 105.91 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -134.44 -176.92 4.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -149.62 54.66 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.476 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -94.4 129.95 10.1 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.582 1.176 . . . . 0.0 111.015 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.443 ' C ' ' H ' ' A' ' 38' ' ' LYS . 42.0 t -61.08 120.46 10.33 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.501 ' CG ' ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -83.95 32.71 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.443 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -129.69 -48.49 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.252 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.553 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 9.3 p -110.06 -33.19 6.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.08 . . . . 0.0 108.266 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.7 19.69 24.07 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.531 1.144 . . . . 0.0 111.063 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.577 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 1.0 OUTLIER -92.89 126.12 37.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.76 . . . . 0.0 109.246 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.476 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 4.5 pt-20 -86.48 121.29 28.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.147 . . . . 0.0 110.366 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.96 -47.35 0.92 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.461 1.1 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.577 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 11.1 p-80 -102.9 176.34 5.18 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.423 0.719 . . . . 0.0 109.536 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' A' ' 49' ' ' CYS . 4.1 pt20 -127.2 156.2 42.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.438 1.086 . . . . 0.0 110.253 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.8 ttp -50.62 -42.69 56.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.6 ttpp -56.75 -37.59 71.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.103 . . . . 0.0 109.316 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.81 34.77 4.77 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.517 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 37.8 t -52.7 112.32 0.81 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.581 1.175 . . . . 0.0 108.286 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 0.0 110.417 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.5 t30 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -60.29 -15.58 26.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -60.22 -13.07 10.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.9 ' ND2' HG11 ' A' ' 13' ' ' VAL . 10.8 p-10 -56.16 -17.6 7.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.645 ' HA ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -58.01 -15.32 8.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -61.0 -12.88 12.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 110.332 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.6 tttp -120.62 37.92 4.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.751 ' O ' HG23 ' A' ' 12' ' ' THR . 3.9 t 37.75 48.0 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.397 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.9 HG11 ' ND2' ' A' ' 8' ' ' ASN . 14.4 m -38.75 156.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.34 135.73 48.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.417 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 41.8 t -75.52 112.04 11.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 108.257 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.54 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 33.6 m-85 -76.92 6.66 5.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -98.1 -58.33 2.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.434 ' O ' ' HB3' ' A' ' 37' ' ' TRP . 28.2 p -95.9 -42.08 8.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.083 . . . . 0.0 108.292 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.505 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 106.28 29.76 4.69 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.94 139.3 48.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 0.783 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.33 139.7 30.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.335 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.77 9.31 8.39 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.411 1.069 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -176.3 159.4 2.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 0.793 . . . . 0.0 109.581 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.784 HG21 HD21 ' A' ' 8' ' ' ASN . 5.8 pt -112.39 157.67 13.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.461 ' O ' ' NH2' ' A' ' 32' ' ' ARG . . . -49.76 -37.88 31.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.56 ' HB2' HD11 ' A' ' 24' ' ' ILE . 15.2 mmmt -58.64 -44.0 89.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -91.94 2.52 56.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.376 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.454 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 49.4 t -77.08 131.55 38.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 108.317 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.38 -27.27 60.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 110.303 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.44 156.58 41.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 157.15 43.2 Favored 'Trans proline' 0 C--N 1.358 1.066 0 O-C-N 124.567 1.825 . . . . 0.0 111.015 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.461 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 7.2 mmp_? -59.06 104.58 0.25 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.99 -177.77 4.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.6 pttt -147.97 53.73 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.502 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -91.51 129.29 9.74 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.447 1.092 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.465 ' C ' ' H ' ' A' ' 38' ' ' LYS . 16.8 t -61.82 119.05 8.02 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.54 ' CZ2' ' HA ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -82.34 37.27 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 107.997 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -132.24 -49.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.349 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.533 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.9 p -110.61 -32.49 6.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 108.33 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.72 20.71 18.39 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.436 1.085 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 1.1 tmtp? -93.79 125.63 38.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 0.777 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.502 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 8.3 pt-20 -85.61 119.86 26.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.254 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.16 -48.77 0.8 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.616 ' CE1' HG22 ' A' ' 50' ' ' THR . 13.9 p-80 -101.7 172.88 6.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.764 . . . . 0.0 109.588 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -122.27 159.08 28.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 110.249 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.2 tmm? -50.19 -36.73 31.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.169 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -56.72 -41.68 77.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -112.4 29.96 7.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.496 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 37.8 t -42.42 112.36 0.34 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 108.334 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.616 HG22 ' CE1' ' A' ' 44' ' ' HIS . 12.4 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.419 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.4 t30 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -60.49 -15.83 30.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.485 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 7.8 ptm180 -59.68 -13.44 9.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.936 ' ND2' HG11 ' A' ' 13' ' ' VAL . 25.0 p-10 -57.46 -36.47 71.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.475 ' HG2' ' CG2' ' A' ' 13' ' ' VAL . 62.0 mt-30 -59.02 -11.13 3.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 110.346 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 9.2 ptt85 -56.45 -16.8 6.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.337 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.486 ' O ' ' HB ' ' A' ' 12' ' ' THR . 13.1 ttpp -109.08 -84.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.806 ' O ' HG23 ' A' ' 12' ' ' THR . 1.3 t 179.31 45.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.371 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.936 HG11 ' ND2' ' A' ' 8' ' ' ASN . 13.8 m -41.13 154.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.23 136.32 44.05 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.475 1.109 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.401 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 41.8 t -73.32 113.9 10.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 108.284 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -77.9 6.09 8.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -98.26 -58.83 1.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 26.3 p -92.57 -42.14 9.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.588 1.18 . . . . 0.0 108.289 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.77 29.46 4.66 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -99.72 -171.71 2.11 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 0.747 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -134.8 126.52 29.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.268 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.56 -1.28 6.45 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.477 1.11 . . . . 0.0 110.973 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -164.51 157.62 17.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 0.767 . . . . 0.0 109.626 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.768 HG21 HD21 ' A' ' 8' ' ' ASN . 12.6 pt -109.0 160.85 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.2 -37.55 16.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.405 ' HB2' HD11 ' A' ' 24' ' ' ILE . 8.0 mmmt -60.45 -45.51 93.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -93.41 13.92 20.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.1 t -85.64 133.41 34.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 108.253 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -31.22 63.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.261 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.35 158.62 36.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 149.84 37.31 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.422 1.748 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.3 mmm-85 -58.6 108.68 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.34 -175.51 3.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -145.87 52.41 1.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.441 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -95.97 125.59 8.47 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.588 1.18 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.426 ' C ' ' H ' ' A' ' 38' ' ' LYS . 29.4 t -61.67 118.84 7.62 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.12 36.51 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.426 ' H ' ' C ' ' A' ' 36' ' ' CYS . 4.3 tptt -130.63 -48.47 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.546 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 14.1 p -109.56 -31.53 7.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 108.301 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.38 22.87 20.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.117 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.535 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.4 OUTLIER -97.34 126.84 42.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 0.764 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.441 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 12.9 pt-20 -86.9 124.07 32.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 110.317 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.57 -46.07 1.04 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.546 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 13.8 p-80 -105.09 178.05 4.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 0.757 . . . . 0.0 109.631 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -129.81 158.89 38.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.244 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -51.64 -43.56 62.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -55.6 -34.46 64.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -120.05 37.29 4.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.511 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 35.3 t -56.94 111.6 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 108.264 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 110.396 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.3 t30 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.497 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 3.3 t80 -59.96 -15.4 21.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.402 ' O ' ' HB3' ' A' ' 10' ' ' ARG . 15.9 ptt180 -60.15 -13.54 12.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.939 ' ND2' HG11 ' A' ' 13' ' ' VAL . 26.6 p-10 -57.4 -34.8 69.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.44 ' OE1' ' ND2' ' A' ' 27' ' ' ASN . 29.9 mt-30 -58.78 -11.59 3.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.359 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.492 ' O ' ' CZ ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -54.29 -18.7 4.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 110.29 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.481 ' O ' ' HB ' ' A' ' 12' ' ' THR . 3.6 ttpt -107.98 -85.44 0.52 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.387 1.054 . . . . 0.0 109.326 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.82 ' O ' HG23 ' A' ' 12' ' ' THR . 1.3 t 179.57 45.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.939 HG11 ' ND2' ' A' ' 8' ' ' ASN . 9.9 m -39.6 154.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -105.61 139.1 40.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.413 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 42.0 t -77.9 110.01 12.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 108.296 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.461 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 10.1 m-85 -72.38 -1.02 13.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -91.0 -67.33 0.86 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.595 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 27.8 p -82.6 -45.4 14.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 108.327 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.54 32.13 3.26 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.19 -173.13 2.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 0.776 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -132.47 125.06 29.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.074 . . . . 0.0 110.346 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.11 -23.01 3.53 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -145.5 157.92 43.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.528 0.781 . . . . 0.0 109.606 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.74 HG21 HD21 ' A' ' 8' ' ' ASN . 10.1 pt -107.63 163.23 5.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.451 ' O ' ' NH2' ' A' ' 32' ' ' ARG . . . -46.62 -37.2 7.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.6 1.187 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.644 ' HG3' HD12 ' A' ' 24' ' ' ILE . 8.7 mtpt -59.58 -47.96 83.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.44 ' ND2' ' OE1' ' A' ' 9' ' ' GLN . 77.7 m-20 -92.59 17.78 9.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.347 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.1 t -89.57 130.98 35.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 108.305 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.15 -29.0 65.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.78 154.12 92.46 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 153.21 41.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.451 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -54.68 108.62 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.275 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.11 -176.46 4.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.102 . . . . 0.0 109.268 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.4 51.18 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.374 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.454 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -89.54 119.99 5.65 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.424 ' C ' ' H ' ' A' ' 38' ' ' LYS . 14.5 t -57.53 120.95 9.18 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.595 ' CD1' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -84.41 38.63 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 107.991 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.446 ' HB2' ' CG ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -133.45 -49.33 0.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.557 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.5 p -109.26 -31.64 7.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 108.235 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.64 21.89 22.78 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.412 1.07 . . . . 0.0 111.041 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.508 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -94.38 127.93 40.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 0.783 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.454 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 1.6 pt-20 -87.47 115.1 24.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.79 -52.25 0.55 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.127 . . . . 0.0 111.033 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.557 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 23.1 p-80 -98.2 -177.35 3.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.743 . . . . 0.0 109.582 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -132.7 163.12 29.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.446 ' CG ' ' HB2' ' A' ' 38' ' ' LYS . 3.8 mtp -51.37 -45.75 62.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -54.98 -34.06 63.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -117.26 34.77 4.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.462 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 35.9 t -56.82 111.23 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 108.354 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.465 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 t30 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -59.44 -15.11 15.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 111.039 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.503 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 20.1 mtm105 -59.8 -12.3 7.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 110.275 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.93 ' ND2' HG11 ' A' ' 13' ' ' VAL . 30.6 p-10 -57.39 -36.35 71.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.239 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.418 ' N ' ' OD1' ' A' ' 8' ' ' ASN . 6.1 mt-30 -59.29 -9.97 2.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.503 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 13.4 ptt180 -57.75 -15.9 9.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.349 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.527 ' O ' ' HB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -110.87 -85.1 0.56 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.429 1.081 . . . . 0.0 109.29 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.778 ' O ' HG23 ' A' ' 12' ' ' THR . 1.9 t 179.04 46.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.441 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.93 HG11 ' ND2' ' A' ' 8' ' ' ASN . 10.1 m -40.44 154.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.407 ' HE3' ' CZ3' ' A' ' 37' ' ' TRP . 3.1 tttt -105.97 139.56 40.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.421 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 42.2 t -78.63 114.73 17.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 108.322 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.469 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 7.7 m-85 -81.01 10.91 4.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -104.6 -52.05 2.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.364 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -100.82 -40.67 7.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 108.331 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.441 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 103.53 28.87 5.85 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.438 1.086 . . . . 0.0 111.038 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -114.51 140.64 48.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 0.794 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -84.33 143.89 29.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.78 0.82 11.96 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.584 1.178 . . . . 0.0 111.028 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 22.9 p-80 -175.63 157.65 2.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 109.566 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.663 HG21 HD21 ' A' ' 8' ' ' ASN . 10.2 pt -108.97 160.7 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.439 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -48.99 -37.23 19.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.358 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.484 ' HB2' HD11 ' A' ' 24' ' ' ILE . 8.2 mmmt -59.73 -44.82 93.61 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.403 ' ND2' HG12 ' A' ' 24' ' ' ILE . 80.3 m-20 -94.15 10.54 33.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.439 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 42.3 t -83.17 135.47 34.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 108.328 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.74 -31.38 59.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.88 155.6 30.69 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.49 42.39 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.537 1.809 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.96 106.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -131.31 -176.3 3.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.41 53.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -95.16 123.9 7.78 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.513 1.133 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.432 ' C ' ' H ' ' A' ' 38' ' ' LYS . 30.0 t -60.56 119.17 7.56 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.469 ' CZ2' ' HA ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -84.68 36.32 0.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 108.04 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.432 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -130.79 -48.94 1.04 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.544 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 12.2 p -109.09 -31.64 7.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 108.292 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.46 22.14 22.56 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.464 1.102 . . . . 0.0 111.044 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.538 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -94.32 126.97 39.91 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 0.753 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.43 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.37 114.79 24.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 146.95 -51.65 0.57 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.565 1.166 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.544 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 20.7 p-80 -98.99 -177.97 3.8 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 0.773 . . . . 0.0 109.532 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -133.9 159.45 40.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.593 1.183 . . . . 0.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.5 tpt -52.23 -40.72 62.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.07 -33.21 56.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -126.38 40.64 3.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.258 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.462 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 39.3 t -55.62 110.62 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.324 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.414 1.071 . . . . 0.0 110.368 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 t30 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.515 ' CZ ' ' OE1' ' A' ' 9' ' ' GLN . 2.2 t80 -59.56 -17.03 29.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.95 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.428 ' HB2' ' NH1' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -61.04 -12.14 10.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.935 ' ND2' HG11 ' A' ' 13' ' ' VAL . 20.1 p-10 -56.89 -22.57 38.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.53 ' HA ' HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -61.15 -11.24 8.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.427 ' O ' ' CZ ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -71.14 -5.03 28.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.283 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 12' ' ' THR . 21.5 tttp -126.24 40.01 3.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.316 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.761 ' O ' HG23 ' A' ' 12' ' ' THR . 3.7 t 36.08 48.39 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 110.414 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.935 HG11 ' ND2' ' A' ' 8' ' ' ASN . 10.9 m -38.34 155.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.464 1.102 . . . . 0.0 109.228 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.12 134.59 51.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.417 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 42.0 t -70.69 111.05 5.87 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.563 1.164 . . . . 0.0 108.256 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.462 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 11.1 m-85 -74.99 5.66 4.95 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -97.79 -62.41 1.25 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.401 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 26.9 p -91.39 -42.5 10.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 108.327 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 106.54 28.33 5.16 Favored Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.502 1.127 . . . . 0.0 111.006 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -109.76 136.61 48.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.433 0.725 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.24 139.04 33.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.386 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.69 9.36 8.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.459 1.099 . . . . 0.0 111.013 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.5 p-80 -176.44 159.48 1.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 0.791 . . . . 0.0 109.564 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.821 HG21 HD21 ' A' ' 8' ' ' ASN . 6.3 pt -113.33 158.3 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.498 ' HB1' HH21 ' A' ' 32' ' ' ARG . . . -49.27 -37.95 25.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.546 ' HB2' HD11 ' A' ' 24' ' ' ILE . 7.4 mmmt -59.12 -44.39 92.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -92.73 5.98 49.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 24' ' ' ILE . 41.8 t -79.79 136.57 36.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 108.296 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -77.09 -31.68 56.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.44 155.09 39.72 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 155.2 42.65 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.498 HH21 ' HB1' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -56.42 107.01 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.349 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.08 -176.18 3.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.51 54.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -97.98 126.48 8.9 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.444 ' C ' ' H ' ' A' ' 38' ' ' LYS . 12.2 t -61.44 117.79 6.15 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.462 ' CZ2' ' HA ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -82.99 39.05 0.62 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -132.26 -49.28 0.92 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.525 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 14.2 p -110.01 -32.39 7.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 108.308 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.03 23.07 15.72 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.441 1.088 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.548 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -95.95 126.15 40.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 0.734 . . . . 0.0 109.327 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.442 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -85.91 119.63 26.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.32 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.35 -48.81 0.79 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.548 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 17.1 p-80 -102.62 175.56 5.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 0.786 . . . . 0.0 109.58 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.41 ' NE2' ' HE3' ' A' ' 47' ' ' LYS . 2.3 pt20 -126.28 163.26 23.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.7 ttt -51.55 -46.47 63.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.41 ' HE3' ' NE2' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -54.4 -32.29 56.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -118.4 34.93 4.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.492 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.7 t -58.73 111.74 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 108.341 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.393 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.3 t30 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 6' ' ' PHE . 5.0 t80 -60.61 -15.95 33.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.3 mtt180 -61.17 -13.03 14.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.225 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.929 ' ND2' HG11 ' A' ' 13' ' ' VAL . 11.8 p-10 -56.39 -20.86 21.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.474 ' HA ' HG22 ' A' ' 13' ' ' VAL . 4.7 mt-30 -58.51 -14.93 9.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 ptt-85 -59.46 -14.91 14.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.712 ' O ' HG22 ' A' ' 12' ' ' THR . 0.0 OUTLIER -117.46 24.42 11.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.752 ' O ' HG23 ' A' ' 12' ' ' THR . 3.9 t 51.1 47.11 25.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.437 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.929 HG11 ' ND2' ' A' ' 8' ' ' ASN . 25.4 m -37.03 154.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.53 141.78 36.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.405 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 41.9 t -77.09 111.4 12.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 108.343 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.411 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 7.2 m-85 -73.11 1.01 9.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -93.39 -66.98 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.484 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 26.4 p -83.53 -43.91 15.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 108.306 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.488 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 107.71 30.13 4.14 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -99.23 -172.31 2.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 0.776 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -134.85 128.82 33.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.233 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.21 5.86 7.8 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.582 1.176 . . . . 0.0 111.033 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -166.54 159.02 13.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 0.79 . . . . 0.0 109.566 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.71 HG21 HD21 ' A' ' 8' ' ' ASN . 7.3 pt -111.07 159.15 11.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.455 ' O ' ' NH2' ' A' ' 32' ' ' ARG . . . -49.33 -38.22 27.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.537 ' HB2' HD11 ' A' ' 24' ' ' ILE . 6.1 mmmt -59.03 -43.59 91.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -91.58 5.65 48.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.078 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.4 ' HB2' ' HA ' ' A' ' 25' ' ' ALA . 47.4 t -79.97 139.65 36.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 108.273 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.9 -31.05 35.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.0 153.46 65.96 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 158.61 42.15 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.502 1.791 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.455 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -55.68 105.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.03 177.44 7.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 109.227 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.21 52.52 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.45 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -98.21 123.11 7.74 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.433 ' C ' ' H ' ' A' ' 38' ' ' LYS . 26.3 t -56.77 119.02 5.49 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.488 ' CG ' ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -83.99 36.43 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.433 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.3 OUTLIER -130.9 -48.93 1.03 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.532 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.4 p -109.74 -32.3 7.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 108.266 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.84 22.38 18.28 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.544 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 4.2 tttt -95.81 127.3 41.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 0.722 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.45 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.49 119.95 28.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 110.312 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.66 -48.88 0.78 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.598 1.186 . . . . 0.0 111.038 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.544 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 15.7 p-80 -101.28 -179.65 4.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 0.788 . . . . 0.0 109.619 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 49' ' ' CYS . 5.1 pt20 -129.2 158.18 39.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.362 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.3 ttt -50.57 -46.56 57.76 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -35.12 66.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.01 31.83 6.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.233 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.506 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.8 t -52.11 111.78 0.68 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 108.316 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.379 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.3 t30 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.41 ' CZ ' ' OE1' ' A' ' 9' ' ' GLN . 20.4 t80 -61.56 -18.35 58.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -60.36 -12.6 9.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.235 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.914 ' ND2' HG11 ' A' ' 13' ' ' VAL . 20.4 p-10 -55.96 -19.26 11.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.41 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 53.0 mt-30 -61.54 -11.43 11.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.4 1.062 . . . . 0.0 110.374 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -79.55 3.62 18.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 110.321 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 10' ' ' ARG . 6.6 tttp -131.92 38.67 3.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.759 ' O ' HG23 ' A' ' 12' ' ' THR . 3.0 t 35.5 47.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.914 HG11 ' ND2' ' A' ' 8' ' ' ASN . 9.7 m -39.96 154.71 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -106.32 138.9 41.67 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.439 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 42.3 t -78.28 114.35 17.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 108.342 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.47 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 6.5 m-85 -77.81 8.23 4.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -102.25 -58.09 1.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.075 . . . . 0.0 109.242 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.447 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 24.8 p -94.9 -41.33 9.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.445 1.091 . . . . 0.0 108.378 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.491 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 103.67 28.21 6.07 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -110.71 141.36 44.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.767 . . . . 0.0 109.278 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -84.72 141.75 30.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.376 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.29 -24.7 5.28 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.118 . . . . 0.0 110.948 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -150.65 157.98 43.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 0.777 . . . . 0.0 109.526 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.798 HG21 HD21 ' A' ' 8' ' ' ASN . 12.5 pt -108.21 159.9 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.574 ' HB1' HH21 ' A' ' 32' ' ' ARG . . . -48.91 -36.8 18.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.43 ' HB2' HD11 ' A' ' 24' ' ' ILE . 5.7 mmtt -59.37 -45.41 91.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -97.34 14.37 26.4 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.478 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 53.5 t -83.65 145.92 28.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 108.313 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -84.79 -36.88 21.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.94 155.19 8.58 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 155.04 42.51 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.475 1.776 . . . . 0.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.574 HH21 ' HB1' ' A' ' 25' ' ' ALA . 4.2 mmp_? -54.85 103.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.354 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.22 -176.78 4.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.71 52.76 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.466 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -91.06 121.19 6.19 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.547 1.154 . . . . 0.0 110.961 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.429 ' C ' ' H ' ' A' ' 38' ' ' LYS . 18.0 t -58.06 119.38 6.69 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.491 ' CG ' ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -83.93 37.55 0.6 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 107.982 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.429 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -131.99 -49.24 0.94 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.564 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.6 p -110.23 -31.72 7.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 108.269 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.45 22.9 20.57 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.549 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 1.5 tttt -95.28 121.47 36.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.398 0.705 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.466 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -81.5 117.44 21.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.17 -50.32 0.67 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.541 1.151 . . . . 0.0 111.045 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.564 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 16.6 p-80 -101.01 175.28 5.65 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.453 0.737 . . . . 0.0 109.532 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -124.9 162.15 25.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.9 ttm -51.91 -45.45 64.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.455 1.097 . . . . 0.0 111.05 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -55.18 -34.29 63.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.23 33.88 5.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.479 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 39.3 t -56.66 112.04 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 108.228 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.0 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.385 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.462 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 4.4 t80 -55.43 -27.52 48.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -15.0 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.358 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.909 ' ND2' HG11 ' A' ' 13' ' ' VAL . 21.1 p-10 -57.01 -17.31 9.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -59.55 -14.31 12.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.497 ' O ' ' CZ ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -81.02 5.85 15.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -131.06 37.01 3.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.76 ' O ' HG23 ' A' ' 12' ' ' THR . 2.7 t 34.71 46.61 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.42 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.909 HG11 ' ND2' ' A' ' 8' ' ' ASN . 11.3 m -41.83 154.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.513 ' HE3' ' CZ3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -106.12 140.18 39.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.426 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 43.2 t -80.21 112.48 17.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 108.26 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -74.85 6.74 3.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -101.14 -64.52 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.404 ' O ' ' HB3' ' A' ' 37' ' ' TRP . 27.2 p -87.12 -41.35 13.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.587 1.179 . . . . 0.0 108.311 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.437 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 102.29 31.07 5.42 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.459 1.099 . . . . 0.0 111.054 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.21 143.08 45.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.407 0.71 . . . . 0.0 109.297 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 12' ' ' THR . 1.4 mt-10 -85.95 141.65 29.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.68 -28.74 4.38 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.401 ' O ' ' HB2' ' A' ' 15' ' ' CYS . 22.7 p-80 -146.04 158.32 43.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.604 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.827 HG21 HD21 ' A' ' 8' ' ' ASN . 15.3 pt -107.94 159.54 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.458 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -48.49 -36.21 14.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -59.45 -46.12 89.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -93.39 9.72 35.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 30' ' ' ALA . 48.5 t -83.15 125.86 31.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 108.26 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.423 ' HG2' ' N ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -72.93 -23.69 60.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.442 1.089 . . . . 0.0 110.318 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.468 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . . . -63.2 155.24 74.78 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 151.61 39.64 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.45 1.763 . . . . 0.0 111.041 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.8 mmm-85 -57.34 108.87 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.6 -175.97 3.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -147.27 53.47 1.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.464 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -95.81 124.49 8.05 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.571 1.169 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.448 ' C ' ' H ' ' A' ' 38' ' ' LYS . 14.6 t -58.7 117.89 5.07 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.513 ' CZ3' ' HE3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -82.87 38.21 0.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 107.979 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.448 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -131.77 -49.33 0.96 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.519 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.4 p -109.96 -32.99 6.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 108.263 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.49 22.39 14.53 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.557 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 1.8 tttt -95.42 127.84 41.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 0.756 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.464 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 1.9 pt-20 -87.67 120.19 28.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.59 -48.27 0.83 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.442 1.089 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.557 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 15.0 p-80 -102.38 177.0 4.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 0.73 . . . . 0.0 109.609 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 49' ' ' CYS . 2.0 pt20 -126.09 158.5 35.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.14 . . . . 0.0 110.309 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.8 tmm? -51.0 -44.59 60.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.21 -35.98 67.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -114.11 32.74 5.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.499 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 35.5 t -53.66 111.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 108.31 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.361 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.9 t30 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.08 -15.18 8.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.377 1.048 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.445 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -60.21 -9.11 2.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.956 ' ND2' HG11 ' A' ' 13' ' ' VAL . 25.4 p-10 -57.01 -25.59 58.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -60.9 -11.02 6.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.445 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -80.39 0.4 33.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.082 . . . . 0.0 110.266 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 12' ' ' THR . 11.9 ttpt -128.07 38.2 4.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.637 1.211 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.746 ' O ' HG23 ' A' ' 12' ' ' THR . 3.6 t 35.67 48.04 0.43 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.424 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.956 HG11 ' ND2' ' A' ' 8' ' ' ASN . 9.9 m -39.1 154.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.85 134.18 51.88 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 42.6 t -72.04 113.42 9.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 108.287 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -77.39 7.87 4.85 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.547 1.154 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -101.96 -58.63 1.84 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.568 1.167 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 27.4 p -93.53 -42.2 9.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 0.0 108.342 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 103.94 31.25 4.84 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.47 1.107 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.27 139.01 50.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 0.732 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -82.06 144.8 30.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.253 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.43 -22.7 6.95 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.483 1.115 . . . . 0.0 110.995 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.1 p-80 -152.51 157.46 41.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 109.587 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.763 HG21 HD21 ' A' ' 8' ' ' ASN . 14.6 pt -107.34 161.51 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.408 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -48.17 -36.95 14.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.37 -45.87 91.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -92.86 13.35 20.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.622 1.201 . . . . 0.0 109.319 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.428 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 48.9 t -84.91 138.33 32.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 108.377 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.6 ttt85 -79.95 -30.18 39.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.342 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.52 155.3 69.03 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.244 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 154.06 42.0 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.478 1.778 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.72 107.57 0.35 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.354 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.47 -175.84 3.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.57 54.55 0.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.235 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.463 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -98.14 126.9 9.05 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.454 ' C ' ' H ' ' A' ' 38' ' ' LYS . 13.2 t -58.23 118.53 5.59 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.45 38.47 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 108.018 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.454 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -132.67 -49.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 109.353 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.542 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.2 p -110.28 -32.87 6.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 108.289 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.62 20.68 18.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.438 1.087 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.586 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -93.69 127.91 39.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.463 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 18.0 pt-20 -87.31 123.07 31.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.19 -45.96 1.06 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.509 1.13 . . . . 0.0 110.965 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.586 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 9.7 p-80 -104.75 171.9 7.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.592 0.819 . . . . 0.0 109.638 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.478 ' OE1' ' CB ' ' A' ' 47' ' ' LYS . 2.9 pt20 -123.78 163.54 20.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.06 -49.72 60.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.478 ' CB ' ' OE1' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -53.36 -31.09 42.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.01 34.46 5.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.524 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.0 t -53.09 112.06 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 108.245 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.53 HG22 ' CE1' ' A' ' 44' ' ' HIS . 11.5 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.463 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.5 t30 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.547 ' CZ ' ' HG3' ' A' ' 9' ' ' GLN . 32.6 t80 -58.34 -14.02 6.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -56.06 -17.67 7.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.923 ' ND2' HG11 ' A' ' 13' ' ' VAL . 14.8 p-10 -55.75 -18.69 8.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.36 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.547 ' HG3' ' CZ ' ' A' ' 6' ' ' PHE . 0.5 OUTLIER -60.43 -12.53 9.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.366 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.8 -7.18 31.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 12' ' ' THR . 13.6 ttpp -126.52 39.55 3.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.767 ' O ' HG23 ' A' ' 12' ' ' THR . 3.7 t 35.18 48.89 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.923 HG11 ' ND2' ' A' ' 8' ' ' ASN . 11.6 m -37.3 154.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.235 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.25 133.37 50.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.383 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.2 t -67.71 112.21 4.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.451 1.094 . . . . 0.0 108.273 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -75.4 4.12 7.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -96.97 -65.64 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 109.359 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 37' ' ' TRP . 26.3 p -84.38 -40.65 17.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.565 1.166 . . . . 0.0 108.315 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.545 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 104.64 28.88 5.53 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -98.4 -171.21 2.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -135.16 128.0 31.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.085 . . . . 0.0 110.311 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 122.73 11.67 5.34 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -173.78 157.78 3.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.619 0.834 . . . . 0.0 109.578 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.768 HG21 HD21 ' A' ' 8' ' ' ASN . 12.2 pt -110.9 159.41 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.465 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -49.73 -36.1 24.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.441 ' HB2' HD11 ' A' ' 24' ' ' ILE . 5.4 mmmt -59.05 -44.73 91.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -92.98 5.83 50.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.62 1.2 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.465 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 42.5 t -80.09 135.48 36.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 108.285 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -30.5 61.84 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.82 150.22 94.99 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 157.72 42.57 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.481 1.78 . . . . 0.0 110.952 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.46 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 0.2 OUTLIER -56.16 102.07 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -122.12 -177.63 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.594 1.184 . . . . 0.0 109.305 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.51 49.76 1.6 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.566 1.166 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.34 120.33 6.08 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.536 1.148 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.432 ' C ' ' H ' ' A' ' 38' ' ' LYS . 11.9 t -60.15 116.81 4.47 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.545 ' CG ' ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -83.28 39.53 0.66 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.13 . . . . 0.0 107.979 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.432 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -131.96 -48.9 0.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.524 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 17.7 p -108.79 -33.03 7.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 108.262 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.15 25.21 11.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.557 1.16 . . . . 0.0 111.062 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.546 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -97.77 128.41 44.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 109.336 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -88.26 115.73 25.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 110.344 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 145.0 -50.4 0.64 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.539 1.149 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.546 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 20.1 p-80 -100.91 178.51 4.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 0.751 . . . . 0.0 109.656 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -131.03 163.86 26.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.343 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.6 ttp -52.23 -40.15 61.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -55.07 -33.48 62.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.394 1.059 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -123.9 39.85 3.87 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.476 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 35.0 t -57.81 112.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 108.255 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.417 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.6 t30 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -60.16 -14.05 15.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.678 ' HB2' HH21 ' A' ' 10' ' ' ARG . 21.6 ptt-85 -60.62 -13.44 14.43 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.518 1.136 . . . . 0.0 110.251 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.914 ' ND2' HG11 ' A' ' 13' ' ' VAL . 20.7 p-10 -56.15 -18.78 11.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.353 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.553 ' HA ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -59.8 -14.83 16.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.575 1.172 . . . . 0.0 110.278 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.678 HH21 ' HB2' ' A' ' 7' ' ' ARG . 5.7 ptp180 -59.96 -14.83 17.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.351 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.467 ' CG ' ' O ' ' A' ' 11' ' ' LYS . 5.6 ttpp -117.3 35.77 4.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.367 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.758 ' O ' HG23 ' A' ' 12' ' ' THR . 3.8 t 36.64 48.49 0.64 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 110.408 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.914 HG11 ' ND2' ' A' ' 8' ' ' ASN . 10.7 m -38.63 155.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.363 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -105.83 143.87 33.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.428 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 45.2 t -79.93 111.63 16.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 108.312 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -72.21 -0.12 11.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -92.64 -68.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.478 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 26.5 p -82.44 -44.09 16.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 108.27 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.525 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 107.24 30.27 4.21 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.446 1.091 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -98.89 -172.15 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.367 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -134.43 127.11 30.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.396 1.06 . . . . 0.0 110.358 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.74 3.6 7.03 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.519 1.137 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 -166.03 160.22 16.31 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 0.79 . . . . 0.0 109.618 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.612 HG21 HD21 ' A' ' 8' ' ' ASN . 6.0 pt -112.47 161.26 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.8 -40.19 40.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.523 ' HB2' HD11 ' A' ' 24' ' ' ILE . 4.1 mmmt -58.82 -42.29 88.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -95.31 12.0 30.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 24' ' ' ILE . 44.1 t -84.6 134.22 34.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 108.362 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -30.98 56.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 110.345 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.01 158.74 24.09 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 148.99 35.97 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.441 1.759 . . . . 0.0 110.958 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 -58.62 110.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 110.371 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -142.83 -174.52 4.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.79 49.83 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.496 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -84.46 126.06 7.45 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.576 1.173 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.467 ' C ' ' H ' ' A' ' 38' ' ' LYS . 26.3 t -59.63 123.56 17.3 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.525 ' CG ' ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -82.8 35.22 0.46 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.48 1.112 . . . . 0.0 108.009 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.2 OUTLIER -133.51 -49.86 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.545 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.4 p -109.98 -31.85 7.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 108.325 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.8 21.72 22.86 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.556 1.16 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.49 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 5.4 tptt -94.29 123.87 37.96 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.435 0.727 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.496 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 22.7 pt-20 -83.35 114.91 21.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.62 -52.91 0.53 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.444 1.09 . . . . 0.0 111.026 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.545 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 25.5 p-80 -98.48 174.46 6.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.42 0.718 . . . . 0.0 109.602 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -121.97 159.86 26.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.381 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.6 tmm? -52.05 -40.22 60.78 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.48 1.112 . . . . 0.0 111.037 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.07 -33.74 63.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.574 1.171 . . . . 0.0 109.405 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -119.54 37.04 4.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.371 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 35.6 t -58.17 111.32 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.592 1.183 . . . . 0.0 108.281 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.393 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -58.05 -20.4 38.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.93 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.52 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 6.0 mmp_? -59.32 -11.73 4.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 1.081 ' ND2' HG11 ' A' ' 13' ' ' VAL . 50.1 t30 -58.03 -38.52 76.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.652 ' HA ' HG22 ' A' ' 13' ' ' VAL . 4.9 mp0 -62.25 -11.85 17.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.412 1.07 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.52 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 16.8 ptt85 -63.43 -10.8 18.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.496 ' CG ' ' O ' ' A' ' 11' ' ' LYS . 1.2 tttm -118.48 37.28 4.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.355 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.79 ' O ' HG23 ' A' ' 12' ' ' THR . 1.6 t 38.27 45.29 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.415 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.081 HG11 ' ND2' ' A' ' 8' ' ' ASN . 25.6 m -42.41 154.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.558 ' HD3' ' CH2' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -100.53 126.45 46.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.498 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 42.6 t -62.24 121.35 12.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 108.296 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.435 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 4.1 m-85 -82.5 14.59 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -113.79 -45.51 3.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 22.2 p -112.39 -37.74 4.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 108.312 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.498 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 110.15 -18.67 28.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.127 . . . . 0.0 111.009 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.55 136.71 56.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 0.729 . . . . 0.0 109.234 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.94 143.56 27.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.298 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.15 -40.62 1.7 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -130.79 157.6 42.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 109.623 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.765 ' CG2' HG21 ' A' ' 13' ' ' VAL . 16.1 pt -104.69 157.63 5.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.164 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.469 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -47.52 -35.78 9.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -59.53 -47.41 85.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -93.26 10.25 32.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.469 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 43.7 t -80.89 137.3 36.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 108.345 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.77 -30.72 32.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.343 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.08 155.32 8.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 154.19 42.43 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.505 1.792 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.39 104.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.39 179.44 5.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.582 1.176 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.6 mtmt -148.93 54.11 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.439 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -101.38 125.95 8.74 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.426 ' C ' ' H ' ' A' ' 38' ' ' LYS . 18.9 t -59.49 118.79 6.45 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.558 ' CH2' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -84.21 37.7 0.63 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 0.0 107.997 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.426 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.3 OUTLIER -131.68 -48.84 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.525 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.6 p -109.25 -32.02 7.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 108.297 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.34 23.11 17.55 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.572 1.17 . . . . 0.0 110.958 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.523 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -96.73 129.88 44.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 0.742 . . . . 0.0 109.276 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.439 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -89.42 121.31 31.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 110.273 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.33 -48.35 0.84 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.585 1.178 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.525 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 17.8 p-80 -102.36 179.58 4.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 0.79 . . . . 0.0 109.555 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -130.08 161.37 31.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.4 ttp -50.7 -43.94 57.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 111.065 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -36.81 68.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -114.05 33.48 5.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.495 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 35.7 t -55.05 111.46 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 108.307 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.382 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.46 ' HA ' ' CZ ' ' A' ' 7' ' ' ARG . 12.1 t30 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.431 ' CZ ' ' OD1' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -58.71 -14.22 7.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 111.072 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.46 ' CZ ' ' HA ' ' A' ' 5' ' ' ASN . 1.1 ptt85 -60.03 -10.16 3.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.96 ' ND2' HG11 ' A' ' 13' ' ' VAL . 22.4 p-10 -56.51 -31.64 64.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.561 ' HA ' HG22 ' A' ' 13' ' ' VAL . 54.8 mt-30 -55.62 -17.92 6.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.587 1.179 . . . . 0.0 110.272 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.92 -15.72 14.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.258 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.904 ' HE3' HG12 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.81 23.3 13.6 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.779 ' O ' HG23 ' A' ' 12' ' ' THR . 2.2 t 52.87 46.47 26.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.96 HG11 ' ND2' ' A' ' 8' ' ' ASN . 28.6 m -38.28 156.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -104.02 136.89 42.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.4 t -73.23 112.52 9.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 108.344 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -77.56 5.09 9.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 110.957 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -96.84 -56.49 2.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.347 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.442 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 27.9 p -95.65 -44.4 7.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 108.332 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.6 30.38 3.55 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.557 1.161 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -100.17 -171.74 2.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 0.812 . . . . 0.0 109.241 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -134.7 131.35 37.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.45 15.77 6.32 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.429 1.081 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -176.16 158.93 2.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 0.729 . . . . 0.0 109.545 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.653 HG21 HD21 ' A' ' 8' ' ' ASN . 7.6 pt -110.05 162.17 7.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.404 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . . . -49.37 -39.66 32.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.484 ' HB2' HD11 ' A' ' 24' ' ' ILE . 5.7 mmmt -59.82 -42.58 93.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.35 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.431 ' OD1' ' CZ ' ' A' ' 6' ' ' PHE . 88.2 m-20 -89.61 9.15 27.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.404 ' HB2' ' HA ' ' A' ' 25' ' ' ALA . 35.1 t -83.95 134.67 34.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 108.305 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -75.82 -26.35 57.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.84 158.92 81.78 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 149.83 37.52 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 111.029 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.54 106.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.265 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.76 -175.91 3.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.28 50.12 1.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.47 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -90.44 119.91 5.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.437 ' C ' ' H ' ' A' ' 38' ' ' LYS . 12.6 t -56.5 120.64 8.06 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.442 ' CD1' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -83.69 38.89 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 108.017 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.437 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -133.52 -49.4 0.84 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.545 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.6 p -110.22 -31.79 7.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 108.296 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.75 21.27 21.86 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.509 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -93.76 126.85 39.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.754 . . . . 0.0 109.327 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.47 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -86.91 112.81 22.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.168 . . . . 0.0 110.235 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 150.29 -53.74 0.5 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.545 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 27.0 p-80 -97.08 174.55 6.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.434 0.726 . . . . 0.0 109.589 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -121.9 160.51 24.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 0.0 110.288 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -52.91 -37.47 60.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.54 -36.29 66.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.69 36.31 4.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.411 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 35.0 t -54.25 111.68 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 108.315 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 110.394 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.2 t30 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.466 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 1.4 t80 -60.52 -15.49 27.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -13.32 12.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.43 1.081 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.901 ' ND2' HG11 ' A' ' 13' ' ' VAL . 13.4 p-10 -55.69 -19.2 9.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.347 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.61 ' HA ' HG22 ' A' ' 13' ' ' VAL . 35.2 mt-30 -59.54 -13.91 11.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -63.39 -11.75 25.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.414 1.071 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' THR . 11.7 ttpp -122.92 39.24 4.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.763 ' O ' HG23 ' A' ' 12' ' ' THR . 3.4 t 36.78 48.92 0.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.901 HG11 ' ND2' ' A' ' 8' ' ' ASN . 10.2 m -37.66 154.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.537 1.148 . . . . 0.0 109.22 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.57 ' HE2' ' CZ3' ' A' ' 37' ' ' TRP . 0.8 OUTLIER -104.65 135.57 45.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.2 t -74.88 115.32 14.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 108.291 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.468 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 12.9 m-85 -79.91 10.49 4.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.597 1.186 . . . . 0.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -103.89 -50.33 3.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -103.94 -42.86 5.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 108.322 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.8 29.87 4.49 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.96 139.17 50.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 0.743 . . . . 0.0 109.262 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.6 140.82 31.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.69 2.91 8.66 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -175.97 158.66 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.766 . . . . 0.0 109.606 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.74 HG21 HD21 ' A' ' 8' ' ' ASN . 8.4 pt -109.69 158.03 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.475 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -48.34 -37.33 16.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.493 ' HB2' HD11 ' A' ' 24' ' ' ILE . 3.8 mmmt -59.08 -45.94 89.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.386 1.054 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -93.95 9.36 37.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 109.309 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.475 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 48.7 t -81.39 130.5 35.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 108.29 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -68.27 -32.09 72.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.34 154.09 44.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.383 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 155.73 42.93 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.485 1.781 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.19 105.55 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.248 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.9 -177.13 4.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -150.71 55.01 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.454 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -99.68 127.93 9.41 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.436 1.085 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.424 ' C ' ' H ' ' A' ' 38' ' ' LYS . 35.3 t -62.51 118.77 8.01 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.57 ' CZ3' ' HE2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -85.32 35.48 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.424 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -129.69 -48.35 1.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.542 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.6 p -109.92 -31.86 7.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 108.263 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.02 22.38 20.44 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.545 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.9 OUTLIER -96.28 125.9 41.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.339 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.454 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.4 OUTLIER -86.35 121.56 29.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.251 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 139.48 -47.75 0.89 Allowed Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.545 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 14.6 p-80 -103.03 -177.84 3.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 0.8 . . . . 0.0 109.577 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 49' ' ' CYS . 2.5 pt20 -133.54 158.8 42.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.248 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.4 ttt -50.68 -42.8 57.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.13 -37.6 69.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.18 34.29 5.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.526 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 33.8 t -52.47 112.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 108.318 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.425 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 t30 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -60.25 -14.65 18.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 33.3 ptt-85 -60.91 -11.42 7.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.916 ' ND2' HG11 ' A' ' 13' ' ' VAL . 19.8 p-10 -56.3 -22.81 32.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.6 ' HA ' HG22 ' A' ' 13' ' ' VAL . 6.2 mm-40 -60.87 -11.47 7.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.432 ' O ' ' CZ ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -71.54 -3.99 24.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.477 ' CG ' ' O ' ' A' ' 11' ' ' LYS . 4.0 tttt -126.66 40.97 3.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.78 ' O ' HG23 ' A' ' 12' ' ' THR . 2.6 t 35.5 47.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.561 1.163 . . . . 0.0 110.41 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.916 HG11 ' ND2' ' A' ' 8' ' ' ASN . 8.8 m -38.76 154.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -107.39 138.92 42.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.401 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 42.4 t -77.1 112.66 13.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 108.309 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.457 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 7.8 m-85 -76.74 7.57 4.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -100.82 -58.43 1.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.428 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 25.0 p -94.68 -42.75 8.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.41 1.069 . . . . 0.0 108.293 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 106.22 27.86 5.44 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.58 140.21 46.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 0.782 . . . . 0.0 109.34 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.81 141.79 30.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.86 -11.35 7.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.583 1.177 . . . . 0.0 111.047 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 -164.73 156.43 15.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 0.0 109.58 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.741 HG21 HD21 ' A' ' 8' ' ' ASN . 20.4 pt -106.17 160.42 5.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.578 ' HB1' HH21 ' A' ' 32' ' ' ARG . . . -48.07 -35.7 11.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.176 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -59.97 -46.91 87.91 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -94.01 14.24 20.39 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.44 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 43.4 t -85.59 135.66 33.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.569 1.168 . . . . 0.0 108.31 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.82 -31.62 57.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.578 1.174 . . . . 0.0 110.26 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.64 155.09 31.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.108 . . . . 0.0 109.297 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 154.68 42.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.474 1.776 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.578 HH21 ' HB1' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -55.82 101.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.355 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -124.14 179.35 4.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.419 1.074 . . . . 0.0 109.362 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -145.34 51.77 1.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -95.9 124.76 8.15 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.552 1.157 . . . . 0.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.413 ' C ' ' H ' ' A' ' 38' ' ' LYS . 44.1 t -62.15 119.24 8.57 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.457 ' CZ2' ' HA ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -86.32 32.91 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 108.014 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -127.57 -47.29 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.237 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.553 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.5 p -109.24 -32.13 7.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 108.266 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.53 22.49 21.48 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.453 1.096 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.508 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -96.18 128.64 43.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.543 0.79 . . . . 0.0 109.343 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.432 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 1.7 pt-20 -88.83 117.21 27.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.589 1.181 . . . . 0.0 110.357 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.56 -50.32 0.66 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.463 1.102 . . . . 0.0 110.967 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.553 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 21.4 p-80 -100.66 -176.69 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 0.735 . . . . 0.0 109.647 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -135.34 158.49 44.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.242 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.4 tmm? -52.11 -41.18 62.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.68 -33.38 60.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.382 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -124.86 39.86 3.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.466 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 33.7 t -56.56 112.0 1.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 108.354 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.526 1.142 . . . . 0.0 110.44 179.995 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 t30 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.49 ' CZ ' ' OD1' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -57.99 -14.76 7.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.376 1.047 . . . . 0.0 110.961 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.513 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -58.98 -10.35 2.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.94 ' ND2' HG11 ' A' ' 13' ' ' VAL . 32.0 p-10 -57.01 -37.52 71.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.448 ' N ' ' OD1' ' A' ' 8' ' ' ASN . 11.2 mt-30 -59.25 -10.23 2.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.33 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.513 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -57.34 -16.31 8.56 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -180.0 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.502 ' O ' ' HB ' ' A' ' 12' ' ' THR . 4.9 ttpp -110.27 -84.68 0.56 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.815 ' O ' HG23 ' A' ' 12' ' ' THR . 1.4 t 179.26 46.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.94 HG11 ' ND2' ' A' ' 8' ' ' ASN . 11.1 m -40.24 154.99 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.88 138.78 39.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.403 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 42.2 t -76.8 111.66 12.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 108.3 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -75.3 4.16 7.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 111.032 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -96.47 -63.28 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 26.2 p -87.41 -42.92 12.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 108.279 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.424 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 107.53 29.49 4.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.429 1.081 . . . . 0.0 111.01 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -98.01 -173.43 2.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 0.76 . . . . 0.0 109.294 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -133.35 116.7 16.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 145.0 -32.96 1.65 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 27.5 p-80 -134.17 161.63 34.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 0.0 109.606 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.696 HG21 HD21 ' A' ' 8' ' ' ASN . 8.9 pt -109.22 161.08 7.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.453 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -49.62 -38.08 30.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.479 ' HB2' HD11 ' A' ' 24' ' ' ILE . 3.5 mmtt -59.21 -43.75 92.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.49 ' OD1' ' CZ ' ' A' ' 6' ' ' PHE . 83.0 m-20 -95.43 10.01 37.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.363 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.453 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 44.9 t -83.87 128.98 34.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 108.305 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -69.8 -27.86 65.24 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.41 153.97 85.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 153.68 41.93 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.481 1.78 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.41 106.86 0.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.241 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -126.33 -176.47 3.67 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.493 1.12 . . . . 0.0 109.344 179.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.5 mtmm -147.55 53.16 1.05 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.155 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.42 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -99.41 129.18 9.81 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.424 ' C ' ' H ' ' A' ' 38' ' ' LYS . 23.2 t -63.65 118.02 7.66 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.424 ' CG ' ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -84.58 37.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 108.006 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.424 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -130.42 -48.37 1.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.556 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.5 p -109.65 -31.84 7.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 108.327 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.46 22.66 18.46 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -96.1 130.33 43.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 0.734 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.42 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 13.8 pt-20 -89.77 123.19 33.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.19 -45.79 1.07 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 12.0 p-80 -104.94 174.76 5.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.585 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 49' ' ' CYS . 2.1 pt20 -127.39 162.6 25.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.8 tmm? -50.57 -43.69 56.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -55.42 -36.78 66.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.63 30.85 7.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.507 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 33.5 t -50.23 112.17 0.64 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.43 1.081 . . . . 0.0 108.331 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 0.0 110.423 -179.992 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.8 t30 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.6 ' CE2' ' OD1' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -58.64 -14.27 7.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 111.048 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -11.65 4.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.928 ' ND2' HG11 ' A' ' 13' ' ' VAL . 20.6 p-10 -54.44 -19.38 5.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.377 1.048 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.476 ' HA ' HG22 ' A' ' 13' ' ' VAL . 35.4 mt-30 -63.34 -8.24 8.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -77.08 -4.26 43.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 12' ' ' THR . 19.8 ttpp -125.43 39.98 3.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.744 ' O ' HG23 ' A' ' 12' ' ' THR . 4.2 t 35.48 47.68 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.928 HG11 ' ND2' ' A' ' 8' ' ' ASN . 9.1 m -38.74 154.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.04 138.85 42.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.415 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 45.2 t -78.14 114.13 16.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 108.293 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.46 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 9.2 m-85 -79.12 9.57 4.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -103.66 -55.69 2.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.34 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 27.4 p -96.7 -41.88 8.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.421 1.076 . . . . 0.0 108.229 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.515 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 103.55 31.24 4.97 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 -179.931 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.94 140.14 48.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.736 . . . . 0.0 109.268 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -84.17 141.01 31.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.91 -25.96 4.87 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.439 1.087 . . . . 0.0 111.04 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.1 p-80 -149.71 157.67 43.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 0.736 . . . . 0.0 109.585 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.769 HG21 HD21 ' A' ' 8' ' ' ASN . 19.7 pt -105.48 161.75 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.48 ' HB1' HH21 ' A' ' 32' ' ' ARG . . . -48.31 -35.74 12.92 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -60.68 -46.38 90.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.6 ' OD1' ' CE2' ' A' ' 6' ' ' PHE . 80.7 m-20 -90.73 13.26 16.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.368 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.406 ' HB2' ' HA ' ' A' ' 25' ' ' ALA . 35.0 t -87.14 135.21 33.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 108.354 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -80.71 -24.73 38.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.137 . . . . 0.0 110.289 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.9 156.36 73.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 155.06 43.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.518 1.799 . . . . 0.0 111.041 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.48 HH21 ' HB1' ' A' ' 25' ' ' ALA . 5.0 mmp_? -57.85 104.92 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -130.7 -176.24 3.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -145.23 52.41 1.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.599 1.187 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.44 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -91.18 123.13 7.0 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.426 ' C ' ' H ' ' A' ' 38' ' ' LYS . 9.4 t -60.16 119.49 7.95 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.515 ' CG ' ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -83.62 40.43 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 107.97 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.426 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -133.91 -49.05 0.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 0.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.533 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 12.7 p -109.97 -32.41 7.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 108.259 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.3 22.53 16.73 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.504 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 2.9 ttpt -95.37 129.05 42.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.367 0.686 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.44 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.8 OUTLIER -88.04 116.55 26.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 0.0 110.329 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 145.43 -51.17 0.61 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.533 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 23.2 p-80 -100.0 176.73 5.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 0.738 . . . . 0.0 109.631 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -129.03 164.09 23.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 110.258 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.4 tpt -52.57 -40.68 62.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -52.99 -30.87 37.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -129.07 42.47 3.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.424 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 41.5 t -58.34 111.49 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 108.282 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.084 . . . . 0.0 110.443 179.977 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.0 t30 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.43 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 22.8 t80 -60.61 -16.58 39.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.039 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.486 ' HE ' ' NH1' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -61.05 -11.32 8.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.945 ' ND2' HG11 ' A' ' 13' ' ' VAL . 24.1 p-10 -56.96 -21.29 29.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.42 ' HA ' HG22 ' A' ' 13' ' ' VAL . 15.4 mt-30 -62.93 -10.12 12.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.348 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.486 ' NH1' ' HE ' ' A' ' 7' ' ' ARG . 12.9 ptt-85 -75.49 -2.35 28.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.259 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 12' ' ' THR . 11.4 tttp -128.73 38.78 3.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.704 ' O ' HG23 ' A' ' 12' ' ' THR . 5.5 t 35.77 48.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.945 HG11 ' ND2' ' A' ' 8' ' ' ASN . 8.7 m -37.57 154.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.91 143.47 36.48 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.419 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 44.3 t -80.87 115.91 20.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 108.215 -179.918 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.404 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 6.9 m-85 -81.75 13.07 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -107.91 -49.0 3.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.419 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 26.0 p -104.41 -40.8 5.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 108.288 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.536 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 102.9 29.61 5.77 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.543 1.152 . . . . 0.0 110.952 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HB2' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -108.71 139.89 42.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 0.0 109.235 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.65 132.81 34.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 136.94 -43.43 1.23 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.116 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.5 p-80 -130.02 159.74 35.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 0.751 . . . . 0.0 109.598 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.768 HG21 HD21 ' A' ' 8' ' ' ASN . 12.5 pt -107.37 157.97 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.229 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.483 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -48.73 -35.6 14.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.442 ' HB2' HD11 ' A' ' 24' ' ' ILE . 12.6 mmmt -59.3 -46.33 88.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -96.81 14.59 24.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.483 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 53.9 t -83.56 137.47 33.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 108.295 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.56 -35.08 60.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.18 156.0 8.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 149.67 36.9 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.525 1.802 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.72 105.22 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -143.96 -174.99 4.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.353 179.921 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 39.4 mttt -135.0 47.02 2.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.497 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -72.21 123.84 9.66 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.412 1.07 . . . . 0.0 110.967 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.48 ' C ' ' H ' ' A' ' 38' ' ' LYS . 15.9 t -61.64 124.04 19.57 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.536 ' CG ' ' HA3' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -81.66 36.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 108.019 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.48 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -134.73 -50.32 0.78 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.559 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 9.7 p -111.55 -31.83 6.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 108.279 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.67 18.73 24.62 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.548 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -91.38 120.31 32.13 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 179.937 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.497 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -81.27 111.25 17.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 152.51 -54.69 0.45 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.559 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 19.6 p-80 -94.9 -178.59 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 0.734 . . . . 0.0 109.608 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 49' ' ' CYS . 51.9 mt-30 -125.77 154.08 43.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 110.255 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.4 tmm? -49.92 -41.14 45.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -39.69 80.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.1 29.89 7.24 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.502 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.4 t -43.87 113.16 0.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 108.285 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.2 t . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.383 -179.997 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 t30 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.518 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -59.95 -16.52 30.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 0.0 110.988 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.416 ' O ' ' HB3' ' A' ' 10' ' ' ARG . 1.5 ptm180 -60.58 -12.06 8.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.94 ' ND2' HG11 ' A' ' 13' ' ' VAL . 15.7 p-10 -56.88 -33.96 67.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.501 ' HA ' HG22 ' A' ' 13' ' ' VAL . 35.0 mt-30 -59.12 -11.38 3.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.248 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.44 ' CZ ' ' HB2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -54.86 -18.34 4.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.931 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.473 ' O ' ' HB ' ' A' ' 12' ' ' THR . 15.3 ttpp -107.2 -84.52 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.799 ' O ' HG23 ' A' ' 12' ' ' THR . 1.3 t -179.93 45.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.94 HG11 ' ND2' ' A' ' 8' ' ' ASN . 13.4 m -42.23 154.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.79 144.33 33.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 42.6 t -84.17 111.32 19.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 108.297 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.466 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 11.0 m-85 -77.48 6.76 6.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -98.98 -54.29 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.24 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.44 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 26.3 p -99.05 -45.06 6.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 108.313 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.97 29.9 3.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -111.3 141.62 44.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -86.69 139.12 31.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.16 -29.97 3.59 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.456 1.098 . . . . 0.0 111.002 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.405 ' O ' ' HB2' ' A' ' 15' ' ' CYS . 22.6 p-80 -145.21 158.53 43.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 0.78 . . . . 0.0 109.629 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.688 HG21 HD21 ' A' ' 8' ' ' ASN . 12.5 pt -107.05 161.87 5.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.42 1.075 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.724 ' HB1' HH21 ' A' ' 32' ' ' ARG . . . -48.5 -35.67 13.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.505 ' HB2' HD11 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -59.72 -46.3 89.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -95.44 16.0 18.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.439 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 42.2 t -87.43 137.51 32.28 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.447 1.092 . . . . 0.0 108.324 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.59 -32.75 58.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.45 156.82 20.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 151.04 39.03 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.724 HH21 ' HB1' ' A' ' 25' ' ' ALA . 9.6 mmp_? -57.0 103.22 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.342 179.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -134.81 -175.41 3.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.607 1.192 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.42 51.68 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.205 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.476 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -87.38 121.46 5.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.476 1.11 . . . . 0.0 111.05 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.428 ' C ' ' H ' ' A' ' 38' ' ' LYS . 18.1 t -58.67 120.45 8.95 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.466 ' CZ2' ' HA ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -84.61 38.04 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.9 OUTLIER -132.65 -49.59 0.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.531 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.6 p -109.72 -31.28 7.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 108.227 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.07 21.48 22.86 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.468 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -96.12 126.54 41.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 0.786 . . . . 0.0 109.323 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.476 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 12.9 pt-20 -85.98 123.65 31.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 139.16 -47.95 0.89 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.531 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 18.7 p-80 -103.15 177.59 4.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.566 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -126.67 161.3 28.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.9 ttp -50.8 -40.98 56.79 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.574 1.171 . . . . 0.0 110.998 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -56.83 -38.15 72.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.381 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.47 33.36 5.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.368 179.897 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.489 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.1 t -50.64 112.01 0.63 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.079 . . . . 0.0 108.311 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.8 p . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 110.374 -179.948 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.6 t30 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -60.85 -15.83 34.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.0 mtm105 -59.41 -14.73 13.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.916 ' ND2' HG11 ' A' ' 13' ' ' VAL . 15.2 p-10 -55.78 -18.87 9.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 109.323 179.926 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.545 ' HA ' HG22 ' A' ' 13' ' ' VAL . 4.6 mm-40 -61.03 -12.06 10.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.229 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -67.57 -8.23 32.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 12' ' ' THR . 6.7 ttpt -126.1 39.27 3.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.413 1.07 . . . . 0.0 109.328 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.756 ' O ' HG23 ' A' ' 12' ' ' THR . 4.8 t 36.33 49.1 0.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.385 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.916 HG11 ' ND2' ' A' ' 8' ' ' ASN . 7.8 m -37.32 154.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.67 136.62 47.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 44.7 t -75.06 109.37 8.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 108.285 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.464 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 11.6 m-85 -73.56 4.17 5.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -95.33 -64.48 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.489 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 27.0 p -89.54 -42.99 11.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 108.305 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 107.57 28.63 4.75 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.127 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.72 138.35 47.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.73 138.23 32.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.1 -1.99 8.38 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 22.9 p-80 -170.36 157.72 6.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 0.779 . . . . 0.0 109.601 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.762 HG21 HD21 ' A' ' 8' ' ' ASN . 13.8 pt -109.74 160.76 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.412 1.07 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.48 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -49.27 -36.85 21.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.408 ' HB2' HD11 ' A' ' 24' ' ' ILE . 4.7 mmmt -59.33 -44.77 92.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -97.25 13.27 30.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.214 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.48 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 52.6 t -84.0 131.92 34.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 108.261 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -33.52 73.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.46 157.0 38.53 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 149.92 36.93 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.802 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.9 mmm-85 -56.36 109.81 0.67 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 110.352 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -140.97 -176.04 4.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 109.34 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -142.17 50.71 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.459 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -87.06 119.95 5.36 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.444 ' C ' ' H ' ' A' ' 38' ' ' LYS . 34.6 t -58.02 120.73 9.07 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.489 ' CD1' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -84.43 35.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.97 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -131.15 -49.05 1.01 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.24 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.559 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.4 p -110.24 -31.84 7.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 108.265 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.25 21.26 25.42 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.448 1.093 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -92.31 120.44 32.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 109.331 179.942 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.459 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -81.05 113.76 19.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 110.343 179.996 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.21 -52.33 0.54 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 17.0 p-80 -98.27 179.58 4.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 109.613 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -128.24 161.31 29.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.9 tpt -52.36 -45.63 65.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -31.28 59.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -121.75 37.26 4.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.497 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 33.6 t -50.34 112.27 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 108.219 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 40.0 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.415 179.939 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.362 -7.563 2 C5'-C4'-O4' 122.116 9.225 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.398 -4.578 2 C5'-C4'-O4' 132.221 16.444 . 0.089 1L . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 203' ' ' ' A' . . . . . 0.568 " H2'" ' C6 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.29 -13.592 1 C1'-O4'-C4' 119.641 11.156 . 0.168 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 204' ' ' ' C' . . . . . 0.584 " H2'" ' C6 ' ' B' ' 205' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.098 -29.557 2 C5'-C4'-O4' 137.722 20.373 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' B' B ' 205' ' ' ' U' . . . . . 0.584 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.272 -15.113 2 C5'-C4'-O4' 136.12 19.228 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' B' B ' 206' ' ' ' A' . . . . . 0.54 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.187 -22.192 2 C5'-C4'-O4' 134.179 17.842 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' B' B ' 207' ' ' ' G' . . . . . 0.54 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.396 -4.74 3 C5'-C4'-O4' 132.525 16.66 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' B' B ' 208' ' ' ' C' . . . . . 0.491 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.119 -27.871 2 C5'-C4'-O4' 136.743 19.674 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.64 ' N2 ' ' C5 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.254 -16.624 1 C5'-C4'-O4' 144.575 25.268 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' B' B ' 210' ' ' ' G' . . . . . 0.816 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.334 -9.939 2 C5'-C4'-O4' 149.913 29.081 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' B' B ' 211' ' ' ' A' . . . . . 0.529 ' C6 ' ' HB1' ' A' ' 25' ' ' ALA . . . . . . . . 1 O4'--C4' 1.405 -4.02 2 C5'-C4'-O4' 142.701 23.929 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . 0.601 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.11 -28.623 1 C1'-O4'-C4' 120.401 12.001 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.64 ' C5 ' ' N2 ' ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.316 -11.376 2 C5'-C4'-O4' 123.739 10.385 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' B' B ' 214' ' ' ' C' . . . . . 0.568 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.314 -11.544 2 C5'-C4'-O4' 126.155 12.111 . 0.577 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 215' ' ' ' U' . . . . . 0.475 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.191 -21.823 2 C1'-O4'-C4' 117.811 9.124 . 0.056 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 216' ' ' ' A' . . . . . 0.503 ' C6 ' ' C6 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.287 -13.817 2 C1'-O4'-C4' 116.486 7.651 . 0.043 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.537 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.305 -12.309 3 C5'-C4'-O4' 129.158 14.256 . 0.077 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 218' ' ' ' U' . . . . . 0.537 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.35 -8.607 3 C1'-O4'-C4' 118.282 9.646 . 0.119 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.515 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.363 -7.522 2 C1'-O4'-C4' 118.451 9.835 . 0.707 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 220' ' ' ' C' . . . . . 0.492 ' N4 ' ' C4 ' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.399 -4.52 2 C1'-O4'-C4' 117.851 9.168 . 0.13 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.494 0.187 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.403 ' O ' ' CB ' ' A' ' 3' ' ' LYS . 1.5 tt0 77.18 106.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.403 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 0.3 OUTLIER 82.19 68.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.52 -25.05 57.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.493 1.12 . . . . 0.0 111.036 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -57.26 -20.29 26.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 0.789 . . . . 0.0 109.25 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -60.99 -15.46 31.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 111.074 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.6 ptt85 -61.72 -12.47 16.76 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.929 ' ND2' HG11 ' A' ' 13' ' ' VAL . 21.3 p-10 -57.19 -20.82 29.01 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.464 1.102 . . . . 0.0 109.346 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.468 ' HA ' HG22 ' A' ' 13' ' ' VAL . 5.2 mt-30 -60.94 -13.09 13.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.274 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.3 -5.05 29.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.172 . . . . 0.0 110.263 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 12' ' ' THR . 15.6 ttpp -126.24 38.06 4.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.258 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.774 ' O ' HG23 ' A' ' 12' ' ' THR . 3.3 t 35.99 48.17 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 110.423 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.929 HG11 ' ND2' ' A' ' 8' ' ' ASN . 8.9 m -37.99 154.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.24 138.37 40.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.412 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 42.4 t -76.64 112.68 13.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 108.285 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.738 ' CE1' " H4'" ' B' ' 210' ' ' ' G' . 5.6 m-85 -76.0 4.28 8.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -97.03 -63.98 1.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.442 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 25.5 p -86.62 -41.34 14.33 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.533 1.146 . . . . 0.0 108.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.538 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 104.72 29.01 5.46 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.037 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.33 -173.39 2.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 0.787 . . . . 0.0 109.352 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -133.23 121.41 22.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.43 -10.23 3.78 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.6 p-80 -158.71 156.89 30.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 0.771 . . . . 0.0 109.546 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.78 HG21 HD21 ' A' ' 8' ' ' ASN . 18.8 pt -106.9 161.96 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.529 ' HB1' ' C6 ' ' B' ' 211' ' ' ' A' . . . -49.83 -35.74 24.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.414 ' HA ' ' NH2' ' A' ' 32' ' ' ARG . 5.5 mmmt -59.93 -44.43 94.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.423 1.077 . . . . 0.0 109.279 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -96.81 12.82 30.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.463 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 46.2 t -85.01 135.3 34.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 108.254 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.66 -32.31 62.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.322 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.88 153.99 50.93 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 152.83 41.55 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 111.043 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.414 ' NH2' ' HA ' ' A' ' 26' ' ' LYS . 2.5 mpt_? -55.06 106.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -134.54 -176.69 4.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -144.36 51.76 1.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.445 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -90.7 118.68 5.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.577 1.173 . . . . 0.0 111.057 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.432 ' C ' ' H ' ' A' ' 38' ' ' LYS . 11.5 t -55.74 120.4 7.24 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.816 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -83.7 39.46 0.68 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 0.0 107.999 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.445 ' CG ' ' SD ' ' A' ' 46' ' ' MET . 1.5 tmtm? -133.83 -49.14 0.81 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.556 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 12.6 p -109.64 -32.07 7.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 108.286 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.19 22.63 19.29 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.438 1.086 . . . . 0.0 111.063 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.528 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 9.2 tttt -94.44 128.35 40.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 0.751 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.445 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.4 OUTLIER -87.74 113.12 23.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.08 . . . . 0.0 110.268 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 149.61 -53.26 0.51 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.556 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 23.3 p-80 -96.97 179.83 4.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.58 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.57 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 1.0 OUTLIER -129.46 164.57 23.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.553 ' HG3' ' CE3' ' A' ' 37' ' ' TRP . 0.1 OUTLIER -51.35 -46.03 62.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 111.022 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp -54.93 -33.32 62.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.82 34.01 5.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.457 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 36.6 t -57.58 110.89 0.96 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 0.0 108.296 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.1 t -80.3 4.4 17.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.434 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.79 -70.35 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -138.53 171.1 14.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.407 1.067 . . . . 0.0 110.239 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -54.46 170.85 0.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.426 1.079 . . . . 0.0 110.34 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -104.34 76.39 1.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.581 1.175 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.3 p30 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.163 2 C1'-O4'-C4' 117.588 8.876 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.39 -5.226 2 C1'-O4'-C4' 117.736 9.04 . 0.182 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' B' B ' 203' ' ' ' A' . . . . . 0.645 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.32 -11.067 2 C1'-O4'-C4' 119.212 10.68 . 0.541 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 204' ' ' ' C' . . . . . 0.645 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.403 -4.18 2 C1'-O4'-C4' 116.905 8.117 . 0.606 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 205' ' ' ' U' . . . . . 0.505 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.211 -20.191 1 C1'-O4'-C4' 119.698 11.22 . 0.256 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 206' ' ' ' A' . . . . . 0.569 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.264 -15.785 3 C5'-C4'-O4' 126.274 12.196 . 0.081 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 207' ' ' ' G' . . . . . 0.569 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.28 -14.446 3 C5'-C4'-O4' 125.691 11.779 . 0.013 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 208' ' ' ' C' . . . . . 0.486 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.394 -4.956 3 C1'-O4'-C4' 117.287 8.541 . 0.07 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.652 ' N1 ' ' C6 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.401 -4.361 3 C5'-C4'-O4' 142.703 23.931 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 002 nuclear nobuild full ' B' B ' 210' ' ' ' G' . . . . . 0.84 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.371 -6.809 2 C5'-C4'-O4' 151.106 29.933 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' B' B ' 211' ' ' ' A' . . . . . 0.689 " H4'" ' CE2' ' A' ' 16' ' ' PHE . . . . . . . . 0 O4'--C4' 1.405 -3.976 2 C5'-C4'-O4' 139.471 21.622 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . 0.6 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.4 -4.404 3 C5'-C4'-O4' 93.932 -10.906 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.652 ' C6 ' ' N1 ' ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.289 -13.657 2 C1'-O4'-C4' 119.036 10.485 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 002 nuclear nobuild full ' B' B ' 214' ' ' ' C' . . . . . 0.55 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.403 -4.165 3 C5'-C4'-O4' 120.71 8.222 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' B' B ' 215' ' ' ' U' . . . . . 0.54 ' O4 ' ' C4 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.182 -22.587 2 C5'-C4'-O4' 143.336 24.383 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' B' B ' 216' ' ' ' A' . . . . . 0.451 " H2'" " O4'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.294 -13.22 3 C5'-C4'-O4' 123.97 10.55 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.545 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.4 -4.41 3 O4'-C4'-C3' 92.905 -8.996 . 0.023 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 218' ' ' ' U' . . . . . 0.545 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.4 -4.42 2 O4'-C4'-C3' 93.349 -8.679 . 0.325 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.504 ' C6 ' " H2'" ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.38 -6.107 2 C1'-O4'-C4' 117.529 8.81 . 0.154 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.447 3 C1'-O4'-C4' 117.375 8.639 . 0.075 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.478 ' O ' ' C ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.51 0.195 . . . . 0.0 111.023 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.478 ' C ' ' O ' ' A' ' 1' ' ' MET . 13.5 pt20 32.33 55.88 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -178.61 68.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.403 ' O ' ' CZ ' ' A' ' 7' ' ' ARG . . . -58.81 -26.67 60.72 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.555 1.159 . . . . 0.0 110.962 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -61.44 -14.89 32.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 0.744 . . . . 0.0 109.244 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -59.85 -14.21 14.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.421 ' HB3' ' NH2' ' A' ' 10' ' ' ARG . 85.7 mtm-85 -61.25 -11.92 11.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.925 ' ND2' HG11 ' A' ' 13' ' ' VAL . 25.9 p-10 -56.66 -19.94 18.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.427 ' HA ' HG22 ' A' ' 13' ' ' VAL . 22.4 mt-30 -61.6 -12.84 17.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.452 ' NH1' ' OP2' ' B' ' 205' ' ' ' U' . 0.0 OUTLIER -65.69 -15.6 62.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 12' ' ' THR . 10.2 ttmm -117.05 35.14 4.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.764 ' O ' HG23 ' A' ' 12' ' ' THR . 4.5 t 36.69 49.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.405 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.925 HG11 ' ND2' ' A' ' 8' ' ' ASN . 9.1 m -37.17 154.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.37 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.11 140.85 37.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.352 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.407 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 42.0 t -75.74 115.79 15.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 108.371 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.689 ' CE2' " H4'" ' B' ' 211' ' ' ' A' . 7.2 m-85 -79.36 9.49 4.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.958 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -103.11 -58.94 1.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.469 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 25.3 p -92.72 -38.41 11.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 108.309 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.459 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 102.45 27.6 6.75 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.55 1.156 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -94.31 -173.94 3.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 0.779 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -134.16 119.94 19.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.79 -8.62 4.23 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.5 p-80 -156.76 157.73 35.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 109.549 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.683 HG21 HD21 ' A' ' 8' ' ' ASN . 14.3 pt -108.43 158.65 8.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.472 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -49.09 -35.62 16.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.412 ' HB2' HD11 ' A' ' 24' ' ' ILE . 13.2 mmmt -59.56 -45.7 91.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -94.76 11.22 32.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.472 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 48.2 t -83.49 129.58 34.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 108.334 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -71.86 -30.33 65.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 110.379 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.44 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . . . -57.61 159.25 9.76 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 144.31 29.9 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.622 1.854 . . . . 0.0 110.946 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.5 mmm-85 -57.03 108.32 0.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.17 . . . . 0.0 110.301 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -141.83 -175.12 4.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -138.76 48.94 1.89 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.514 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -82.74 116.81 4.28 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.475 1.11 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.444 ' C ' ' H ' ' A' ' 38' ' ' LYS . 26.1 t -54.95 122.61 11.25 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.84 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -84.21 36.23 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -132.78 -49.42 0.89 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.155 . . . . 0.0 109.331 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.544 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.0 p -110.29 -30.9 7.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 108.28 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.59 22.41 24.05 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -99.02 119.37 37.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.514 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 13.0 pt-20 -79.73 121.99 26.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.37 -51.12 0.64 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.491 1.12 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.544 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 25.8 p-80 -99.39 -177.44 3.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 0.766 . . . . 0.0 109.642 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.538 ' HB3' ' C8 ' ' B' ' 210' ' ' ' G' . 1.2 mt-30 -126.79 154.76 43.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.1 ttp -50.56 -39.95 50.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.57 -39.63 77.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -111.5 32.08 5.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.447 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.6 t -45.31 111.8 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 108.33 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.7 p -75.23 -1.17 22.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.343 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -93.14 -60.62 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 110.251 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 50.77 54.97 10.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.168 . . . . 0.0 110.363 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.415 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 17.0 tt0 -179.61 61.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 53' ' ' GLN . . . 179.76 176.65 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.249 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.7 p30 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.92 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.391 -5.142 2 C1'-O4'-C4' 117.975 9.306 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.405 3 C1'-O4'-C4' 117.885 9.206 . 0.249 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 203' ' ' ' A' . . . . . 0.618 " H2'" ' C6 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.269 -15.31 3 C1'-O4'-C4' 119.216 10.684 . 0.153 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B ' 204' ' ' ' C' . . . . . 0.618 ' C6 ' " H2'" ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.354 -8.266 3 C1'-O4'-C4' 118.462 9.846 . 0.173 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B ' 205' ' ' ' U' . . . . . 0.498 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.203 -20.825 1 C1'-O4'-C4' 119.216 10.684 . 0.155 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B ' 206' ' ' ' A' . . . . . 0.636 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.218 -19.598 2 C5'-C4'-O4' 128.522 13.802 . 0.05 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B ' 207' ' ' ' G' . . . . . 0.636 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.279 -14.462 3 C5'-C4'-O4' 127.7 13.214 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' B' B ' 208' ' ' ' C' . . . . . 0.53 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.365 -7.371 3 C1'-O4'-C4' 117.95 9.277 . 0.013 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.595 ' N2 ' ' C5 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.367 -7.138 2 C1'-O4'-C4' 117.393 8.658 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' B' B ' 210' ' ' ' G' . . . . . 0.83 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.081 -30.961 1 C1'-O4'-C4' 122.865 14.739 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 003 nuclear nobuild full ' B' B ' 211' ' ' ' A' . . . . . 0.548 " H5'" ' CE2' ' A' ' 16' ' ' PHE . . . . . . . . 1 O4'--C4' 1.39 -5.227 2 C5'-C4'-O4' 143.914 24.796 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 5 4 . 1 . 003 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . 0.621 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.082 -30.878 1 C1'-O4'-C4' 122.959 14.843 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 003 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.595 ' C5 ' ' N2 ' ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.23 -18.579 2 C5'-C4'-O4' 139.06 21.328 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' B' B ' 214' ' ' ' C' . . . . . 0.589 ' C4 ' ' O4 ' ' B' ' 215' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.384 -5.726 2 C5'-C4'-O4' 140.35 22.25 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 003 nuclear nobuild full ' B' B ' 215' ' ' ' U' . . . . . 0.604 " H2'" ' C8 ' ' B' ' 216' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.124 -27.426 2 C5'-C4'-O4' 139.955 21.968 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' B' B ' 216' ' ' ' A' . . . . . 0.604 ' C8 ' " H2'" ' B' ' 215' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.297 -13.04 2 C1'-O4'-C4' 116.461 7.623 . 0.482 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.539 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.362 -7.565 3 C5'-C4'-O4' 127.304 12.931 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' B' B ' 218' ' ' ' U' . . . . . 0.539 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.306 -12.215 3 C1'-O4'-C4' 119.223 10.692 . 0.082 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.501 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.398 -4.606 3 C1'-O4'-C4' 117.307 8.564 . 0.276 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.396 -4.728 2 C1'-O4'-C4' 117.859 9.176 . 0.098 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 CA-C-O 120.551 0.215 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -86.26 153.2 22.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.251 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm 71.61 59.53 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.62 -16.95 47.17 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -56.62 -23.49 41.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 0.729 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.576 ' CE1' ' OD1' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -58.58 -13.85 6.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 111.048 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -60.09 -10.15 4.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.933 ' ND2' HG11 ' A' ' 13' ' ' VAL . 22.2 p-10 -56.02 -24.4 38.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.359 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.568 ' HA ' HG22 ' A' ' 13' ' ' VAL . 32.7 mt-30 -59.24 -13.75 8.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.9 ptm85 -67.53 -8.71 36.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 11' ' ' LYS . 11.1 tttp -123.65 38.73 4.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.778 ' O ' HG23 ' A' ' 12' ' ' THR . 2.6 t 36.34 48.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.584 1.178 . . . . 0.0 110.389 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.933 HG11 ' ND2' ' A' ' 8' ' ' ASN . 6.4 m -37.63 154.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -102.64 140.23 37.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.5 t -80.81 109.69 15.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 1.176 . . . . 0.0 108.297 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.548 ' CE2' " H5'" ' B' ' 211' ' ' ' A' . 7.7 m-85 -73.65 -0.58 15.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -91.08 -67.49 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.369 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -81.69 -44.27 17.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.404 1.065 . . . . 0.0 108.301 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.531 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 107.35 30.47 4.11 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.75 -172.55 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -132.4 129.57 39.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 110.326 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.0 -0.86 6.7 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.5 p-80 -168.54 156.36 8.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.418 0.717 . . . . 0.0 109.651 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.716 HG21 HD21 ' A' ' 8' ' ' ASN . 12.9 pt -107.17 165.03 4.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.601 1.188 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.43 ' O ' ' NH2' ' A' ' 32' ' ' ARG . . . -49.36 -35.41 18.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.17 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.475 ' HB2' HD11 ' A' ' 24' ' ' ILE . 6.5 mmtt -60.29 -45.45 93.32 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.576 ' OD1' ' CE1' ' A' ' 6' ' ' PHE . 80.4 m-20 -92.77 11.95 25.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.401 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 40.8 t -86.96 132.73 33.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 108.378 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 -75.76 -26.07 57.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 110.288 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.03 152.9 90.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 157.28 42.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.529 1.805 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.43 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -54.74 106.22 0.2 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.32 177.08 7.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.52 51.89 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.477 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -94.85 128.57 9.56 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.457 ' C ' ' H ' ' A' ' 38' ' ' LYS . 18.6 t -59.98 120.36 9.52 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.83 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -82.98 36.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.457 ' H ' ' C ' ' A' ' 36' ' ' CYS . 2.4 tmtp? -132.55 -49.58 0.91 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.559 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 9.1 p -110.28 -32.78 6.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 108.352 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.49 18.92 24.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.564 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -91.78 126.82 37.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.783 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.477 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 15.8 pt-20 -86.14 121.71 29.13 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.76 -47.59 0.91 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 11.5 p-80 -102.77 168.46 9.22 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.513 0.772 . . . . 0.0 109.556 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.577 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 1.3 pt20 -116.64 160.43 20.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.264 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.6 ttm -51.72 -40.11 59.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -56.6 -37.98 71.4 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.549 1.156 . . . . 0.0 109.367 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -111.69 29.92 7.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.42 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 25.9 t -45.35 115.84 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 108.271 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.423 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 42.5 p -60.55 -12.26 9.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.575 1.172 . . . . 0.0 110.42 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 50' ' ' THR . 3.6 mt-10 174.91 -92.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.585 1.178 . . . . 0.0 110.335 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER 168.56 178.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.228 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.429 ' CB ' ' HA ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER 177.89 144.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.78 114.29 21.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.083 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.5 t30 . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 179.94 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 201' ' ' ' G' . . . . . 0.629 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.399 -4.485 3 C5'-C4'-O4' 142.218 23.584 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . 0.629 ' C6 ' ' C6 ' ' B' ' 201' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.397 -4.672 2 C1'-O4'-C4' 117.965 9.294 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' B' B ' 203' ' ' ' A' . . . . . 0.671 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.353 -8.342 3 C1'-O4'-C4' 118.144 9.494 . 0.051 1m . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 204' ' ' ' C' . . . . . 0.671 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.079 -31.141 2 C5'-C4'-O4' 135.305 18.647 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' B' B ' 205' ' ' ' U' . . . . . 0.43 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.37 -6.909 2 C5'-C4'-O4' 141.313 22.938 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear nobuild full ' B' B ' 206' ' ' ' A' . . . . . 0.558 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.184 -22.429 2 C5'-C4'-O4' 130.896 15.497 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' B' B ' 207' ' ' ' G' . . . . . 0.558 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.359 -7.869 3 C5'-C4'-O4' 120.881 8.344 . 0.139 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 208' ' ' ' C' . . . . . 0.462 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.302 -12.583 3 C1'-O4'-C4' 117.703 9.004 . 0.096 7a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.539 ' N2 ' ' C6 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.353 -8.356 2 C5'-C4'-O4' 129.681 14.629 . 0.231 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 210' ' ' ' G' . . . . . 0.806 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.076 -31.449 1 C1'-O4'-C4' 123.395 15.328 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 7r' 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear nobuild full ' B' B ' 211' ' ' ' A' . . . . . 0.539 " H5'" ' CE2' ' A' ' 16' ' ' PHE . . . . . . . . 1 O4'--C4' 1.288 -13.783 2 C5'-C4'-O4' 132.217 16.441 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . 0.561 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.12 -27.774 1 C1'-O4'-C4' 121.563 13.292 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.584 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.208 -20.455 2 C5'-C4'-O4' 138.473 20.91 . 0.054 9a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 214' ' ' ' C' . . . . . 0.584 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.39 -5.215 2 C5'-C4'-O4' 137.387 20.134 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear nobuild full ' B' B ' 215' ' ' ' U' . . . . . 0.525 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.113 -28.371 1 C1'-O4'-C4' 122.341 14.156 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' B' B ' 216' ' ' ' A' . . . . . 0.5 ' C6 ' ' C6 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.326 -10.563 3 O4'-C4'-C3' 95.334 -7.261 . 0.241 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.525 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.399 -4.501 3 C5'-C4'-O4' 125.182 11.416 . 0.028 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 218' ' ' ' U' . . . . . 0.525 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.401 -4.355 2 O4'-C4'-C3' 93.94 -8.257 . 0.183 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.489 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.378 -6.25 3 C1'-O4'-C4' 118.19 9.544 . 0.177 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 220' ' ' ' C' . . . . . 0.473 ' N4 ' ' C4 ' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.4 -4.395 2 C1'-O4'-C4' 117.802 9.114 . 0.072 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.449 0.166 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -66.07 175.7 1.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.249 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 77.36 64.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.36 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.78 -26.82 60.86 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.448 1.093 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -59.52 -17.32 31.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 0.794 . . . . 0.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -59.94 -14.71 17.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.488 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -59.62 -14.51 13.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.932 ' ND2' HG11 ' A' ' 13' ' ' VAL . 30.4 p-10 -57.72 -36.73 72.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.424 ' N ' ' OD1' ' A' ' 8' ' ' ASN . 65.6 mt-30 -59.21 -11.67 4.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.488 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 8.8 ptt85 -55.61 -17.39 5.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 110.198 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.468 ' O ' ' HB ' ' A' ' 12' ' ' THR . 12.1 ttpp -108.82 -85.84 0.52 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.805 ' O ' HG23 ' A' ' 12' ' ' THR . 1.2 t -179.85 45.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.377 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.932 HG11 ' ND2' ' A' ' 8' ' ' ASN . 11.2 m -40.15 154.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.39 143.46 32.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.401 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 43.8 t -83.29 111.81 19.32 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.536 1.147 . . . . 0.0 108.333 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.539 ' CE2' " H5'" ' B' ' 211' ' ' ' A' . 16.6 m-85 -75.76 3.11 10.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -94.96 -61.96 1.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 26.1 p -88.99 -43.86 10.83 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.503 1.127 . . . . 0.0 108.338 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.531 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 107.9 30.36 4.0 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.98 -174.52 2.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -132.91 118.28 18.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.4 -26.93 2.27 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.3 p-80 -140.32 158.54 43.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.572 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.756 HG21 HD21 ' A' ' 8' ' ' ASN . 15.4 pt -107.86 161.11 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.738 ' HB1' HH21 ' A' ' 32' ' ' ARG . . . -49.63 -36.62 25.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -59.59 -43.89 93.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -97.38 12.21 33.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.477 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 46.7 t -84.01 135.44 34.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.42 -32.55 60.76 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.57 1.169 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.01 156.48 13.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 109.326 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.12 154.12 41.71 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.494 1.786 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.738 HH21 ' HB1' ' A' ' 25' ' ' ALA . 7.9 mmp_? -56.67 104.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -136.91 -175.94 4.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.0 tttm -147.93 54.64 1.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.257 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.521 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -90.71 133.25 11.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.46 ' C ' ' H ' ' A' ' 38' ' ' LYS . 39.8 t -61.93 123.95 19.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.806 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -83.77 32.5 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 108.07 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.46 ' H ' ' C ' ' A' ' 36' ' ' CYS . 1.3 tptt -131.61 -49.03 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.53 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 12.9 p -110.83 -33.29 6.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 108.272 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.39 22.13 17.72 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.486 1.117 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.524 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 1.2 tptt -94.75 123.41 38.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.521 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -82.57 121.19 26.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.36 -48.64 0.82 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.53 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 14.9 p-80 -102.54 169.32 8.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 109.619 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.578 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 1.4 pt20 -116.98 156.23 27.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.433 ' HG3' ' N7 ' ' B' ' 210' ' ' ' G' . 3.2 ppp? -50.99 -32.03 19.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.536 1.148 . . . . 0.0 111.047 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.493 ' CE ' ' OP1' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -57.75 -42.12 83.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -110.83 27.81 9.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 32.5 t -43.27 111.93 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 108.309 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.0 p -76.48 0.04 21.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 110.395 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -121.8 62.71 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -124.42 152.34 43.37 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 110.316 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -167.35 60.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.25 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -40.47 -61.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.276 -14.777 2 C5'-C4'-O4' 134.681 18.201 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.392 -5.121 3 C1'-O4'-C4' 117.921 9.246 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 203' ' ' ' A' . . . . . 0.611 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.258 -16.258 3 C1'-O4'-C4' 119.011 10.457 . 0.26 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 204' ' ' ' C' . . . . . 0.611 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.269 -15.306 2 C1'-O4'-C4' 118.238 9.597 . 0.059 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 205' ' ' ' U' . . . . . 0.544 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.321 -10.984 2 C1'-O4'-C4' 117.262 8.514 . 0.186 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 206' ' ' ' A' . . . . . 0.565 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.277 -14.697 3 C5'-C4'-O4' 127.232 12.88 . 0.064 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 207' ' ' ' G' . . . . . 0.565 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.201 -21.037 2 C5'-C4'-O4' 130.875 15.482 . 0.013 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 208' ' ' ' C' . . . . . 0.515 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.367 -7.16 3 C1'-O4'-C4' 117.193 8.436 . 0.024 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.645 ' N2 ' ' C6 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.262 -15.919 3 C1'-O4'-C4' 118.833 10.259 . 0.866 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 210' ' ' ' G' . . . . . 0.798 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.088 -30.379 2 C1'-O4'-C4' 122.49 14.322 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 005 nuclear nobuild full ' B' B ' 211' ' ' ' A' . . . . . 0.746 " H4'" ' CE2' ' A' ' 16' ' ' PHE . . . . . . . . 1 O4'--C4' 1.401 -4.371 3 C5'-C4'-O4' 146.527 26.662 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 5 4 . 1 . 005 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . 0.597 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.123 -27.487 2 C1'-O4'-C4' 120.315 11.906 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 005 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.645 ' C6 ' ' N2 ' ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.339 -9.534 2 C1'-O4'-C4' 115.279 6.309 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 005 nuclear nobuild full ' B' B ' 214' ' ' ' C' . . . . . 0.593 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.364 -7.39 2 C5'-C4'-O4' 123.56 10.257 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' B' B ' 215' ' ' ' U' . . . . . 0.548 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.172 -23.401 2 C5'-C4'-O4' 135.46 18.757 . 0.096 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 216' ' ' ' A' . . . . . 0.45 " H2'" " O4'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.226 -18.881 2 C1'-O4'-C4' 117.027 8.252 . 0.02 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.534 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.4 -4.377 3 C5'-C4'-O4' 125.579 11.699 . 0.045 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 218' ' ' ' U' . . . . . 0.534 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.361 -7.628 3 C1'-O4'-C4' 118.228 9.587 . 0.043 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.493 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.357 -7.996 3 C1'-O4'-C4' 118.648 10.054 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 220' ' ' ' C' . . . . . 0.481 ' N4 ' ' C4 ' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.399 -4.464 2 C1'-O4'-C4' 117.789 9.098 . 0.091 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.8 mtt . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.445 0.164 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.04 -54.49 4.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.342 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.34 64.5 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.396 1.06 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.81 -26.08 59.91 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.569 1.168 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -59.72 -17.73 37.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 0.732 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.435 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 4.8 t80 -61.21 -16.84 49.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.417 ' HB2' ' NH1' ' A' ' 7' ' ' ARG . 8.2 mtm105 -60.69 -13.06 12.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.254 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.916 ' ND2' HG11 ' A' ' 13' ' ' VAL . 20.2 p-10 -56.41 -18.78 12.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.388 1.055 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.407 ' HA ' HG22 ' A' ' 13' ' ' VAL . 17.8 mt-30 -61.82 -11.9 14.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.459 ' CZ ' ' P ' ' B' ' 205' ' ' ' U' . 3.5 ptm85 -78.06 1.84 19.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.263 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.47 ' HZ1' ' H5 ' ' B' ' 208' ' ' ' C' . 9.5 ttpp -130.11 38.33 3.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.772 ' O ' HG23 ' A' ' 12' ' ' THR . 3.1 t 35.6 47.79 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.573 1.171 . . . . 0.0 110.451 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.916 HG11 ' ND2' ' A' ' 8' ' ' ASN . 10.7 m -40.07 154.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.23 137.44 45.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.587 1.18 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 23' ' ' HIS . 44.3 t -77.83 112.61 14.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 108.277 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.746 ' CE2' " H4'" ' B' ' 211' ' ' ' A' . 25.4 m-85 -76.85 6.47 6.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -99.43 -57.78 2.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 37' ' ' TRP . 28.3 p -94.96 -43.39 8.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 108.244 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.501 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 105.95 31.61 4.1 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.428 1.08 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -117.2 141.48 48.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 109.338 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.79 146.4 27.38 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.28 -27.45 5.81 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 110.951 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' A' ' 15' ' ' CYS . 21.1 p-80 -147.27 157.74 43.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 0.773 . . . . 0.0 109.59 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.835 HG21 HD21 ' A' ' 8' ' ' ASN . 15.8 pt -107.19 159.6 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.449 ' O ' ' NH2' ' A' ' 32' ' ' ARG . . . -46.58 -37.12 7.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -59.87 -47.84 84.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.249 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -91.41 12.07 21.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.414 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 48.4 t -83.59 137.07 33.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 108.283 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -29.69 39.43 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.436 1.085 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.08 155.7 42.83 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.234 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 157.14 43.15 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.507 1.793 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.449 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 6.4 mmp_? -57.38 105.91 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -134.44 -176.92 4.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -149.62 54.66 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.476 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -94.4 129.95 10.1 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.582 1.176 . . . . 0.0 111.015 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.443 ' C ' ' H ' ' A' ' 38' ' ' LYS . 42.0 t -61.08 120.46 10.33 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.798 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -83.95 32.71 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.443 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -129.69 -48.49 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.252 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.547 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 9.3 p -110.06 -33.19 6.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.08 . . . . 0.0 108.266 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.7 19.69 24.07 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.531 1.144 . . . . 0.0 111.063 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.577 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 1.0 OUTLIER -92.89 126.12 37.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.76 . . . . 0.0 109.246 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.476 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 4.5 pt-20 -86.48 121.29 28.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.147 . . . . 0.0 110.366 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.96 -47.35 0.92 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.461 1.1 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.577 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 11.1 p-80 -102.9 176.34 5.18 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.423 0.719 . . . . 0.0 109.536 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.581 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 4.1 pt20 -127.2 156.2 42.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.438 1.086 . . . . 0.0 110.253 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.8 ttp -50.62 -42.69 56.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.6 ttpp -56.75 -37.59 71.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.103 . . . . 0.0 109.316 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.81 34.77 4.77 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.517 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 37.8 t -52.7 112.32 0.81 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.581 1.175 . . . . 0.0 108.286 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.0 t -85.34 4.19 36.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 0.0 110.417 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -84.26 -60.88 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.28 98.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.432 1.083 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.567 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -170.55 -54.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.594 1.184 . . . . 0.0 110.329 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 53' ' ' GLN . . . 74.79 -61.53 0.48 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.4 t30 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 201' ' ' ' G' . . . . . 0.639 ' N7 ' ' C5 ' ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.385 -5.661 3 C1'-O4'-C4' 118.087 9.43 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . 0.639 ' C5 ' ' N7 ' ' B' ' 201' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.372 -6.727 2 C1'-O4'-C4' 118.218 9.576 . 0.016 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 203' ' ' ' A' . . . . . 0.62 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.318 -11.216 3 C1'-O4'-C4' 118.692 10.102 . 0.099 1m . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 204' ' ' ' C' . . . . . 0.62 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.376 -6.392 2 C1'-O4'-C4' 117.47 8.744 . 0.25 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 205' ' ' ' U' . . . . . 0.494 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.369 -6.983 3 C5'-C4'-O4' 92.813 -11.705 . 0.18 7a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 206' ' ' ' A' . . . . . 0.467 " H2'" " O4'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.18 -22.76 2 C5'-C4'-O4' 132.012 16.294 . 0.125 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 207' ' ' ' G' . . . . . 0.512 " H2'" ' C6 ' ' B' ' 208' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.291 -13.48 3 C5'-C4'-O4' 131.156 15.683 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 006 nuclear nobuild full ' B' B ' 208' ' ' ' C' . . . . . 0.512 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.215 -19.796 1 C1'-O4'-C4' 119.561 11.068 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.609 ' N2 ' ' C5 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.4 -4.383 3 C5'-C4'-O4' 138.911 21.222 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 006 nuclear nobuild full ' B' B ' 210' ' ' ' G' . . . . . 0.816 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.081 -30.976 2 C1'-O4'-C4' 123.041 14.935 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 006 nuclear nobuild full ' B' B ' 211' ' ' ' A' . . . . . 0.534 " H5'" ' CE2' ' A' ' 16' ' ' PHE . . . . . . . . 1 O4'--C4' 1.332 -10.056 2 C5'-C4'-O4' 136.54 19.528 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 5 4 . 1 . 006 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . 0.561 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.103 -29.185 1 C1'-O4'-C4' 120.992 12.657 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 006 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.621 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.327 -10.507 2 C1'-O4'-C4' 115.889 6.988 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 006 nuclear nobuild full ' B' B ' 214' ' ' ' C' . . . . . 0.621 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.317 -11.296 2 C1'-O4'-C4' 118.651 10.057 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' B' B ' 215' ' ' ' U' . . . . . 0.572 " H2'" ' C8 ' ' B' ' 216' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.121 -27.675 1 C1'-O4'-C4' 120.592 12.213 . 0.257 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 216' ' ' ' A' . . . . . 0.574 " H2'" ' C8 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.272 -15.108 2 C1'-O4'-C4' 116.724 7.916 . 0.01 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.574 ' C8 ' " H2'" ' B' ' 216' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.401 -4.342 2 O4'-C4'-C3' 93.172 -8.806 . 0.22 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 218' ' ' ' U' . . . . . 0.525 " H2'" ' C6 ' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.401 -4.363 3 O4'-C4'-C3' 93.154 -8.819 . 0.415 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.525 ' C6 ' " H2'" ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.286 -13.93 2 C1'-O4'-C4' 119.772 11.302 . 0.055 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 220' ' ' ' C' . . . . . 0.449 ' N4 ' ' C4 ' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.382 -5.914 3 C1'-O4'-C4' 117.638 8.931 . 0.118 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.558 0.218 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.408 ' O ' ' CB ' ' A' ' 3' ' ' LYS . 47.5 mm-40 60.22 151.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.283 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.408 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 0.3 OUTLIER 81.46 67.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.231 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.99 -22.84 56.07 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.555 1.159 . . . . 0.0 111.086 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -59.23 -28.28 66.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 0.794 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -60.29 -15.58 26.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.503 ' CZ ' ' OP1' ' B' ' 204' ' ' ' C' . 1.4 mtt85 -60.22 -13.07 10.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.9 ' ND2' HG11 ' A' ' 13' ' ' VAL . 10.8 p-10 -56.16 -17.6 7.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.645 ' HA ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -58.01 -15.32 8.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -61.0 -12.88 12.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 110.332 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.6 tttp -120.62 37.92 4.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.751 ' O ' HG23 ' A' ' 12' ' ' THR . 3.9 t 37.75 48.0 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.397 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.9 HG11 ' ND2' ' A' ' 8' ' ' ASN . 14.4 m -38.75 156.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.34 135.73 48.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.417 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 41.8 t -75.52 112.04 11.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 108.257 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.54 ' HA ' ' CZ2' ' A' ' 37' ' ' TRP . 33.6 m-85 -76.92 6.66 5.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -98.1 -58.33 2.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.434 ' O ' ' HB3' ' A' ' 37' ' ' TRP . 28.2 p -95.9 -42.08 8.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.083 . . . . 0.0 108.292 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.505 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 106.28 29.76 4.69 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.94 139.3 48.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 0.783 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.33 139.7 30.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.335 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.77 9.31 8.39 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.411 1.069 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -176.3 159.4 2.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 0.793 . . . . 0.0 109.581 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.784 HG21 HD21 ' A' ' 8' ' ' ASN . 5.8 pt -112.39 157.67 13.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.469 ' HB3' ' C2 ' ' B' ' 211' ' ' ' A' . . . -49.76 -37.88 31.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.56 ' HB2' HD11 ' A' ' 24' ' ' ILE . 15.2 mmmt -58.64 -44.0 89.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -91.94 2.52 56.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.376 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.454 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 49.4 t -77.08 131.55 38.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 108.317 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.38 -27.27 60.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 110.303 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.44 156.58 41.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 157.15 43.2 Favored 'Trans proline' 0 C--N 1.358 1.066 0 O-C-N 124.567 1.825 . . . . 0.0 111.015 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.461 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 7.2 mmp_? -59.06 104.58 0.25 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.99 -177.77 4.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.6 pttt -147.97 53.73 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.502 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -91.51 129.29 9.74 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.447 1.092 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.465 ' C ' ' H ' ' A' ' 38' ' ' LYS . 16.8 t -61.82 119.05 8.02 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.816 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -82.34 37.27 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 107.997 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -132.24 -49.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.349 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.528 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.9 p -110.61 -32.49 6.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 108.33 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.72 20.71 18.39 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.436 1.085 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 1.1 tmtp? -93.79 125.63 38.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 0.777 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.502 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 8.3 pt-20 -85.61 119.86 26.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.254 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.16 -48.77 0.8 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.616 ' CE1' HG22 ' A' ' 50' ' ' THR . 13.9 p-80 -101.7 172.88 6.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.764 . . . . 0.0 109.588 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.587 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 2.0 pt20 -122.27 159.08 28.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 110.249 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.2 tmm? -50.19 -36.73 31.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.169 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -56.72 -41.68 77.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -112.4 29.96 7.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.496 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 37.8 t -42.42 112.36 0.34 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 108.334 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.616 HG22 ' CE1' ' A' ' 44' ' ' HIS . 12.4 t -83.0 1.45 39.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.419 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 50' ' ' THR . 9.7 pt-20 38.47 65.6 0.6 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.61 143.62 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -144.12 63.16 1.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -139.62 171.26 14.5 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 109.265 -179.941 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.412 2 C1'-O4'-C4' 117.792 9.103 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.398 -4.564 3 C1'-O4'-C4' 117.759 9.065 . 0.39 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' B' B ' 203' ' ' ' A' . . . . . 0.628 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.373 -6.659 2 C1'-O4'-C4' 117.726 9.028 . 0.249 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 204' ' ' ' C' . . . . . 0.628 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.337 -9.625 2 C1'-O4'-C4' 118.581 9.979 . 0.782 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 205' ' ' ' U' . . . . . 0.56 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.246 -17.246 3 C1'-O4'-C4' 119.436 10.929 . 0.17 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 206' ' ' ' A' . . . . . 0.494 " H2'" " O4'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.239 -17.815 2 C5'-C4'-O4' 130.437 15.169 . 0.108 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 207' ' ' ' G' . . . . . 0.5 " H2'" ' C6 ' ' B' ' 208' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.395 -4.856 3 C5'-C4'-O4' 136.102 19.216 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 007 nuclear nobuild full ' B' B ' 208' ' ' ' C' . . . . . 0.5 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.092 -30.095 2 C5'-C4'-O4' 135.018 18.442 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.48 H5'' " C3'" ' B' ' 208' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.359 -7.862 1 C1'-O4'-C4' 116.414 7.571 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' B' B ' 210' ' ' ' G' . . . . . 0.808 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.362 -7.587 2 C5'-C4'-O4' 150.298 29.356 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 007 nuclear nobuild full ' B' B ' 211' ' ' ' A' . . . . . 0.474 " H4'" ' CE2' ' A' ' 16' ' ' PHE . . . . . . . . 1 O4'--C4' 1.404 -4.062 1 C5'-C4'-O4' 138.586 20.99 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 007 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . 0.592 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.337 -9.656 2 C1'-O4'-C4' 117.362 8.624 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.622 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.265 -15.695 2 C1'-O4'-C4' 118.115 9.461 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 007 nuclear nobuild full ' B' B ' 214' ' ' ' C' . . . . . 0.622 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.401 -4.316 3 C1'-O4'-C4' 117.724 9.026 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' B' B ' 215' ' ' ' U' . . . . . 0.553 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.159 -24.5 2 C1'-O4'-C4' 121.983 13.758 . 0.059 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 216' ' ' ' A' . . . . . 0.47 " H2'" " O4'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.278 -14.594 3 C1'-O4'-C4' 116.356 7.506 . 0.13 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.546 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.401 -4.369 3 C5'-C4'-O4' 128.488 13.777 OUTLIER-DELTA 0.01 1L . 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' B' B ' 218' ' ' ' U' . . . . . 0.546 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.285 -13.966 3 C1'-O4'-C4' 118.893 10.326 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.519 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.4 -4.405 3 O4'-C4'-C3' 93.363 -8.669 . 0.194 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.399 -4.462 3 C5'-C4'-O4' 92.418 -11.987 . 0.016 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 2' ' ' GLN . 4.5 mtm . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.508 0.194 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 1' ' ' MET . 34.6 mt-30 -38.99 151.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.506 1.128 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 77.55 64.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.93 -22.94 55.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.541 1.151 . . . . 0.0 111.019 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -59.07 -21.24 58.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 0.747 . . . . 0.0 109.253 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -60.49 -15.83 30.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.485 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 7.8 ptm180 -59.68 -13.44 9.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.936 ' ND2' HG11 ' A' ' 13' ' ' VAL . 25.0 p-10 -57.46 -36.47 71.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.475 ' HG2' ' CG2' ' A' ' 13' ' ' VAL . 62.0 mt-30 -59.02 -11.13 3.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 110.346 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 9.2 ptt85 -56.45 -16.8 6.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.337 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.486 ' O ' ' HB ' ' A' ' 12' ' ' THR . 13.1 ttpp -109.08 -84.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.806 ' O ' HG23 ' A' ' 12' ' ' THR . 1.3 t 179.31 45.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.371 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.936 HG11 ' ND2' ' A' ' 8' ' ' ASN . 13.8 m -41.13 154.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.23 136.32 44.05 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.475 1.109 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.8 t -73.32 113.9 10.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 108.284 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.532 ' CD1' " O4'" ' B' ' 210' ' ' ' G' . 11.0 m-85 -77.9 6.09 8.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -98.26 -58.83 1.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -92.57 -42.14 9.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.588 1.18 . . . . 0.0 108.289 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.77 29.46 4.66 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -99.72 -171.71 2.11 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 0.747 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -134.8 126.52 29.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.268 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.56 -1.28 6.45 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.477 1.11 . . . . 0.0 110.973 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -164.51 157.62 17.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 0.767 . . . . 0.0 109.626 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.768 HG21 HD21 ' A' ' 8' ' ' ASN . 12.6 pt -109.0 160.85 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.2 -37.55 16.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.405 ' HB2' HD11 ' A' ' 24' ' ' ILE . 8.0 mmmt -60.45 -45.51 93.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -93.41 13.92 20.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.1 t -85.64 133.41 34.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 108.253 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -31.22 63.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.261 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.35 158.62 36.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 149.84 37.31 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.422 1.748 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.3 mmm-85 -58.6 108.68 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.34 -175.51 3.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -145.87 52.41 1.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.441 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -95.97 125.59 8.47 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.588 1.18 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.443 ' HA ' ' O6 ' ' B' ' 210' ' ' ' G' . 29.4 t -61.67 118.84 7.62 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.808 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -85.12 36.51 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.426 ' H ' ' C ' ' A' ' 36' ' ' CYS . 4.3 tptt -130.63 -48.47 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.546 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 14.1 p -109.56 -31.53 7.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 108.301 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.38 22.87 20.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.117 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.535 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.4 OUTLIER -97.34 126.84 42.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 0.764 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.441 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 12.9 pt-20 -86.9 124.07 32.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 110.317 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.57 -46.07 1.04 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.546 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 13.8 p-80 -105.09 178.05 4.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 0.757 . . . . 0.0 109.631 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.575 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 3.2 pt20 -129.81 158.89 38.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.244 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -51.64 -43.56 62.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -55.6 -34.46 64.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -120.05 37.29 4.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.511 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 35.3 t -56.94 111.6 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 108.264 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.8 t -79.21 3.09 18.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 110.396 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -95.6 -59.06 1.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 110.264 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.07 96.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.366 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -140.12 -59.08 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.335 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 64.25 167.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.256 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 201' ' ' ' G' . . . . . 0.473 " H2'" ' C8 ' ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.4 -4.426 3 C5'-C4'-O4' 139.885 21.918 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . 0.473 ' C8 ' " H2'" ' B' ' 201' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.397 -4.654 2 C1'-O4'-C4' 117.957 9.285 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' B' B ' 203' ' ' ' A' . . . . . 0.625 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.332 -10.086 2 C1'-O4'-C4' 118.918 10.354 . 0.501 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 204' ' ' ' C' . . . . . 0.625 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.325 -10.662 2 C1'-O4'-C4' 118.436 9.818 . 0.65 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 205' ' ' ' U' . . . . . 0.509 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.256 -16.4 3 C1'-O4'-C4' 117.403 8.67 . 0.013 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 206' ' ' ' A' . . . . . 0.528 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.246 -17.267 2 C5'-C4'-O4' 133.365 17.261 OUTLIER-DELTA 0.01 1a . 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' B' B ' 207' ' ' ' G' . . . . . 0.528 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.255 -16.486 3 C5'-C4'-O4' 123.475 10.196 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 208' ' ' ' C' . . . . . 0.499 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.304 -12.454 3 C1'-O4'-C4' 118.61 10.012 . 0.101 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.642 ' N2 ' ' C6 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.378 -6.266 2 C5'-C4'-O4' 141.661 23.186 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 008 nuclear nobuild full ' B' B ' 210' ' ' ' G' . . . . . 0.83 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.205 -20.653 2 C5'-C4'-O4' 137.63 20.307 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 008 nuclear nobuild full ' B' B ' 211' ' ' ' A' . . . . . 0.634 " H4'" ' CE2' ' A' ' 16' ' ' PHE . . . . . . . . 0 O4'--C4' 1.408 -3.777 2 C5'-C4'-O4' 141.464 23.045 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . 0.572 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.386 -5.588 3 C5'-C4'-O4' 95.777 -9.588 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.642 ' C6 ' ' N2 ' ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.258 -16.211 2 C1'-O4'-C4' 119.726 11.252 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 008 nuclear nobuild full ' B' B ' 214' ' ' ' C' . . . . . 0.576 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.398 -4.618 2 C1'-O4'-C4' 117.853 9.169 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' B' B ' 215' ' ' ' U' . . . . . 0.543 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.142 -25.893 2 C1'-O4'-C4' 120.871 12.523 . 0.19 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 216' ' ' ' A' . . . . . 0.594 ' C6 ' ' C6 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.297 -13.014 2 O4'-C4'-C3' 96.705 -6.282 . 0.3 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.594 ' C6 ' ' C6 ' ' B' ' 216' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.4 -4.401 3 C5'-C4'-O4' 121.959 9.114 . 0.149 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 218' ' ' ' U' . . . . . 0.54 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.3 -12.742 3 C5'-C4'-O4' 126.224 12.16 . 0.128 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.425 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.399 -4.482 3 C1'-O4'-C4' 117.084 8.315 . 0.078 1m . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.428 2 C1'-O4'-C4' 117.81 9.122 . 0.072 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.49 0.186 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.44 177.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 74.07 61.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.92 -27.06 61.56 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.534 1.146 . . . . 0.0 110.962 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -61.78 -14.51 33.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 0.78 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.497 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 3.3 t80 -59.96 -15.4 21.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.402 ' O ' ' HB3' ' A' ' 10' ' ' ARG . 15.9 ptt180 -60.15 -13.54 12.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.939 ' ND2' HG11 ' A' ' 13' ' ' VAL . 26.6 p-10 -57.4 -34.8 69.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.44 ' OE1' ' ND2' ' A' ' 27' ' ' ASN . 29.9 mt-30 -58.78 -11.59 3.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.359 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.492 ' O ' ' CZ ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -54.29 -18.7 4.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 110.29 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.481 ' O ' ' HB ' ' A' ' 12' ' ' THR . 3.6 ttpt -107.98 -85.44 0.52 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.387 1.054 . . . . 0.0 109.326 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.82 ' O ' HG23 ' A' ' 12' ' ' THR . 1.3 t 179.57 45.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.939 HG11 ' ND2' ' A' ' 8' ' ' ASN . 9.9 m -39.6 154.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -105.61 139.1 40.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.413 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 42.0 t -77.9 110.01 12.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 108.296 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.634 ' CE2' " H4'" ' B' ' 211' ' ' ' A' . 10.1 m-85 -72.38 -1.02 13.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -91.0 -67.33 0.86 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.595 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 27.8 p -82.6 -45.4 14.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 108.327 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.54 32.13 3.26 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.19 -173.13 2.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 0.776 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -132.47 125.06 29.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.074 . . . . 0.0 110.346 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.11 -23.01 3.53 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -145.5 157.92 43.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.528 0.781 . . . . 0.0 109.606 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.74 HG21 HD21 ' A' ' 8' ' ' ASN . 10.1 pt -107.63 163.23 5.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.451 ' O ' ' NH2' ' A' ' 32' ' ' ARG . . . -46.62 -37.2 7.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.6 1.187 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.644 ' HG3' HD12 ' A' ' 24' ' ' ILE . 8.7 mtpt -59.58 -47.96 83.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.44 ' ND2' ' OE1' ' A' ' 9' ' ' GLN . 77.7 m-20 -92.59 17.78 9.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.347 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.1 t -89.57 130.98 35.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 108.305 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.15 -29.0 65.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.78 154.12 92.46 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 153.21 41.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.451 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -54.68 108.62 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.275 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.11 -176.46 4.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.102 . . . . 0.0 109.268 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.4 51.18 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.374 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.454 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -89.54 119.99 5.65 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.427 ' HA ' ' O6 ' ' B' ' 210' ' ' ' G' . 14.5 t -57.53 120.95 9.18 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.83 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -84.41 38.63 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 107.991 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.446 ' HB2' ' CG ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -133.45 -49.33 0.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.557 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.5 p -109.26 -31.64 7.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 108.235 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.64 21.89 22.78 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.412 1.07 . . . . 0.0 111.041 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.508 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -94.38 127.93 40.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 0.783 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.454 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 1.6 pt-20 -87.47 115.1 24.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.79 -52.25 0.55 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.127 . . . . 0.0 111.033 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.557 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 23.1 p-80 -98.2 -177.35 3.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.743 . . . . 0.0 109.582 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.597 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 2.0 pt20 -132.7 163.12 29.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.446 ' CG ' ' HB2' ' A' ' 38' ' ' LYS . 3.8 mtp -51.37 -45.75 62.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -54.98 -34.06 63.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -117.26 34.77 4.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.462 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 35.9 t -56.82 111.23 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 108.354 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 t -79.12 2.86 19.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.465 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -76.86 -60.14 2.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -176.59 -58.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.74 165.43 1.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.266 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -175.38 94.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.599 1.187 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 201' ' ' ' G' . . . . . 0.509 ' C8 ' ' C4 ' ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.402 -4.236 2 O4'-C4'-C3' 92.359 -9.386 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . 0.613 ' C6 ' ' C6 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.331 -10.208 2 C1'-O4'-C4' 117.604 8.893 . 0.257 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 203' ' ' ' A' . . . . . 0.622 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.253 -16.681 3 C1'-O4'-C4' 119.57 11.078 . 0.017 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 204' ' ' ' C' . . . . . 0.622 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.257 -16.331 2 C1'-O4'-C4' 118.836 10.262 . 0.03 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 205' ' ' ' U' . . . . . 0.522 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.246 -17.228 1 C1'-O4'-C4' 120.014 11.571 . 0.154 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 206' ' ' ' A' . . . . . 0.531 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.248 -17.078 2 C5'-C4'-O4' 130.175 14.982 . 0.101 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 207' ' ' ' G' . . . . . 0.531 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.348 -8.746 3 C5'-C4'-O4' 130.009 14.864 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' B' B ' 208' ' ' ' C' . . . . . 0.527 " H2'" ' C8 ' ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.101 -29.322 2 C5'-C4'-O4' 136.689 19.635 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.527 ' C8 ' " H2'" ' B' ' 208' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.384 -5.791 2 C5'-C4'-O4' 138.36 20.828 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' B' B ' 210' ' ' ' G' . . . . . 0.814 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.357 -8.017 2 C5'-C4'-O4' 150.088 29.206 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 009 nuclear nobuild full ' B' B ' 211' ' ' ' A' . . . . . 0.414 HO2' ' P ' ' B' ' 212' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.402 -4.243 2 C5'-C4'-O4' 141.752 23.251 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 009 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . 0.601 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.127 -27.191 2 C1'-O4'-C4' 120.298 11.886 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 009 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.624 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.2 -21.054 2 C5'-C4'-O4' 138.934 21.239 . 0.0 OUTLIER '7D dist 9a' 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' B' B ' 214' ' ' ' C' . . . . . 0.624 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.358 -7.89 2 C5'-C4'-O4' 136.965 19.832 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 009 nuclear nobuild full ' B' B ' 215' ' ' ' U' . . . . . 0.544 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.087 -30.476 2 C1'-O4'-C4' 122.919 14.799 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' B' B ' 216' ' ' ' A' . . . . . 0.55 " H2'" ' C8 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.304 -12.446 2 O4'-C4'-C3' 96.333 -6.548 . 0.648 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.581 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.394 -4.92 2 O4'-C4'-C3' 93.227 -8.766 . 0.338 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 218' ' ' ' U' . . . . . 0.61 ' C4 ' ' N4 ' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.151 -25.148 2 C1'-O4'-C4' 120.199 11.776 . 0.122 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.679 " H2'" ' C6 ' ' B' ' 220' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.356 -8.12 3 C5'-C4'-O4' 125.926 11.947 . 0.053 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 220' ' ' ' C' . . . . . 0.679 ' C6 ' " H2'" ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.189 -21.976 2 C5'-C4'-O4' 137.104 19.931 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.424 ' HG3' ' N ' ' A' ' 2' ' ' GLN . 5.8 ptp . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.544 0.212 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.424 ' N ' ' HG3' ' A' ' 1' ' ' MET . 0.5 OUTLIER -103.17 178.68 4.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.308 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 79.05 66.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.62 -27.71 61.67 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -58.9 -17.2 22.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.592 0.819 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -59.44 -15.11 15.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 111.039 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.503 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 20.1 mtm105 -59.8 -12.3 7.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 110.275 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.93 ' ND2' HG11 ' A' ' 13' ' ' VAL . 30.6 p-10 -57.39 -36.35 71.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.239 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.418 ' N ' ' OD1' ' A' ' 8' ' ' ASN . 6.1 mt-30 -59.29 -9.97 2.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.503 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 13.4 ptt180 -57.75 -15.9 9.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.349 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.527 ' O ' ' HB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -110.87 -85.1 0.56 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.429 1.081 . . . . 0.0 109.29 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.778 ' O ' HG23 ' A' ' 12' ' ' THR . 1.9 t 179.04 46.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.441 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.93 HG11 ' ND2' ' A' ' 8' ' ' ASN . 10.1 m -40.44 154.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.407 ' HE3' ' CZ3' ' A' ' 37' ' ' TRP . 3.1 tttt -105.97 139.56 40.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 42.2 t -78.63 114.73 17.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 108.322 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.487 ' CE1' " H4'" ' B' ' 210' ' ' ' G' . 7.7 m-85 -81.01 10.91 4.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -104.6 -52.05 2.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.364 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -100.82 -40.67 7.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 108.331 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.441 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 103.53 28.87 5.85 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.438 1.086 . . . . 0.0 111.038 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -114.51 140.64 48.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 0.794 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -84.33 143.89 29.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.78 0.82 11.96 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.584 1.178 . . . . 0.0 111.028 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 22.9 p-80 -175.63 157.65 2.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 109.566 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.663 HG21 HD21 ' A' ' 8' ' ' ASN . 10.2 pt -108.97 160.7 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.439 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -48.99 -37.23 19.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.358 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.484 ' HB2' HD11 ' A' ' 24' ' ' ILE . 8.2 mmmt -59.73 -44.82 93.61 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.403 ' ND2' HG12 ' A' ' 24' ' ' ILE . 80.3 m-20 -94.15 10.54 33.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.439 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 42.3 t -83.17 135.47 34.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 108.328 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.74 -31.38 59.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.88 155.6 30.69 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.49 42.39 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.537 1.809 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.96 106.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -131.31 -176.3 3.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.41 53.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -95.16 123.9 7.78 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.513 1.133 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.432 ' C ' ' H ' ' A' ' 38' ' ' LYS . 30.0 t -60.56 119.17 7.56 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.814 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -84.68 36.32 0.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 108.04 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.432 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -130.79 -48.94 1.04 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.534 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 12.2 p -109.09 -31.64 7.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 108.292 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.46 22.14 22.56 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.464 1.102 . . . . 0.0 111.044 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.538 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -94.32 126.97 39.91 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 0.753 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.43 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.37 114.79 24.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 146.95 -51.65 0.57 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.565 1.166 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.538 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 20.7 p-80 -98.99 -177.97 3.8 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 0.773 . . . . 0.0 109.532 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.588 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 3.2 pt20 -133.9 159.45 40.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.593 1.183 . . . . 0.0 110.313 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.422 ' HB3' ' N7 ' ' B' ' 210' ' ' ' G' . 6.5 tpt -52.23 -40.72 62.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.07 -33.21 56.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -126.38 40.64 3.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.258 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.462 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 39.3 t -55.62 110.62 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.324 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 t -81.68 5.12 19.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.414 1.071 . . . . 0.0 110.368 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -149.87 78.09 1.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.402 1.064 . . . . 0.0 110.277 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.53 88.15 7.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.314 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -162.9 157.46 21.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 110.282 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.87 160.91 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.8 t30 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.36 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.44 3 C5'-C4'-O4' 137.22 20.015 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.377 -6.307 3 C5'-C4'-O4' 97.063 -8.669 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 203' ' ' ' A' . . . . . 0.64 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.273 -14.968 2 C1'-O4'-C4' 119.93 11.477 . 0.567 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 204' ' ' ' C' . . . . . 0.64 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.343 -9.193 2 C1'-O4'-C4' 118.632 10.036 . 0.548 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 205' ' ' ' U' . . . . . 0.541 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.238 -17.921 2 C1'-O4'-C4' 120.623 12.248 . 0.121 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 206' ' ' ' A' . . . . . 0.555 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.208 -20.425 2 C1'-O4'-C4' 118.683 10.092 . 0.45 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 207' ' ' ' G' . . . . . 0.555 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.398 -4.601 3 C5'-C4'-O4' 132.002 16.287 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 010 nuclear nobuild full ' B' B ' 208' ' ' ' C' . . . . . 0.519 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.089 -30.347 2 C5'-C4'-O4' 134.103 17.788 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.639 ' N2 ' ' C5 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.107 -28.864 2 C1'-O4'-C4' 121.317 13.019 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' B' B ' 210' ' ' ' G' . . . . . 0.847 " H4'" ' CE1' ' A' ' 16' ' ' PHE . . . . . . . . 1 O4'--C4' 1.311 -11.867 2 C5'-C4'-O4' 148.996 28.426 OUTLIER-DELTA 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 5 4 . 1 . 010 nuclear nobuild full ' B' B ' 211' ' ' ' A' . . . . . 0.576 ' C2 ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 1 O4'--C4' 1.402 -4.263 3 C5'-C4'-O4' 144.83 25.45 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 010 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . 0.479 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.255 -16.482 2 C1'-O4'-C4' 120.138 11.709 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.639 ' C5 ' ' N2 ' ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.244 -17.423 2 C1'-O4'-C4' 119.824 11.36 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 010 nuclear nobuild full ' B' B ' 214' ' ' ' C' . . . . . 0.535 " H2'" ' C6 ' ' B' ' 215' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.402 -4.239 2 C5'-C4'-O4' 126.408 12.292 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' B' B ' 215' ' ' ' U' . . . . . 0.535 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.136 -26.406 2 C1'-O4'-C4' 122.326 14.141 . 0.331 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 216' ' ' ' A' . . . . . 0.465 " H2'" " O4'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.35 -8.567 2 O4'-C4'-C3' 94.416 -7.917 . 0.224 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.554 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.4 -4.438 3 C5'-C4'-O4' 123.168 9.977 . 0.055 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 218' ' ' ' U' . . . . . 0.554 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.321 -11.014 3 C1'-O4'-C4' 117.82 9.134 . 0.039 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.505 ' C6 ' " H2'" ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.383 -5.803 3 C5'-C4'-O4' 92.94 -11.615 . 0.156 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.381 3 O4'-C4'-C3' 94.212 -8.063 . 0.033 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.484 0.183 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -39.01 131.66 1.38 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 110.367 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.1 pttm -177.66 68.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.242 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.89 -27.05 61.48 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -60.17 -15.64 25.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 0.727 . . . . 0.0 109.252 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.515 ' CZ ' ' OE1' ' A' ' 9' ' ' GLN . 2.2 t80 -59.56 -17.03 29.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.95 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.428 ' HB2' ' NH1' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -61.04 -12.14 10.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.935 ' ND2' HG11 ' A' ' 13' ' ' VAL . 20.1 p-10 -56.89 -22.57 38.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.53 ' HA ' HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -61.15 -11.24 8.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.427 ' O ' ' CZ ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -71.14 -5.03 28.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.283 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 12' ' ' THR . 21.5 tttp -126.24 40.01 3.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.316 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.761 ' O ' HG23 ' A' ' 12' ' ' THR . 3.7 t 36.08 48.39 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 110.414 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.935 HG11 ' ND2' ' A' ' 8' ' ' ASN . 10.9 m -38.34 155.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.464 1.102 . . . . 0.0 109.228 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.12 134.59 51.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.417 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 42.0 t -70.69 111.05 5.87 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.563 1.164 . . . . 0.0 108.256 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.847 ' CE1' " H4'" ' B' ' 210' ' ' ' G' . 11.1 m-85 -74.99 5.66 4.95 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -97.79 -62.41 1.25 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.401 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 26.9 p -91.39 -42.5 10.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 108.327 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 106.54 28.33 5.16 Favored Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.502 1.127 . . . . 0.0 111.006 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -109.76 136.61 48.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.433 0.725 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.24 139.04 33.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.386 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.69 9.36 8.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.459 1.099 . . . . 0.0 111.013 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.5 p-80 -176.44 159.48 1.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 0.791 . . . . 0.0 109.564 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.821 HG21 HD21 ' A' ' 8' ' ' ASN . 6.3 pt -113.33 158.3 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.576 ' HB3' ' C2 ' ' B' ' 211' ' ' ' A' . . . -49.27 -37.95 25.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.546 ' HB2' HD11 ' A' ' 24' ' ' ILE . 7.4 mmmt -59.12 -44.39 92.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -92.73 5.98 49.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 24' ' ' ILE . 41.8 t -79.79 136.57 36.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 108.296 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -77.09 -31.68 56.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.44 155.09 39.72 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 155.2 42.65 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.498 HH21 ' HB1' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -56.42 107.01 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.349 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.08 -176.18 3.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.51 54.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -97.98 126.48 8.9 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.444 ' C ' ' H ' ' A' ' 38' ' ' LYS . 12.2 t -61.44 117.79 6.15 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.819 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -82.99 39.05 0.62 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -132.26 -49.28 0.92 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.525 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 14.2 p -110.01 -32.39 7.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 108.308 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.03 23.07 15.72 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.441 1.088 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.548 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -95.95 126.15 40.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 0.734 . . . . 0.0 109.327 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.442 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -85.91 119.63 26.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.32 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.35 -48.81 0.79 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.548 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 17.1 p-80 -102.62 175.56 5.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 0.786 . . . . 0.0 109.58 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.592 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 2.3 pt20 -126.28 163.26 23.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.7 ttt -51.55 -46.47 63.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.41 ' HE3' ' NE2' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -54.4 -32.29 56.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -118.4 34.93 4.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.492 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.7 t -58.73 111.74 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 108.341 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.0 t -73.69 -2.57 23.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.393 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -147.41 53.86 1.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -39.13 -62.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 42.48 62.47 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.254 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.38 -63.43 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.916 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.398 -4.555 3 C1'-O4'-C4' 117.887 9.208 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . 0.405 H5'' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 1 O4'--C4' 1.354 -8.262 3 C1'-O4'-C4' 118.611 10.013 . 0.409 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 203' ' ' ' A' . . . . . 0.658 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.337 -9.646 3 C1'-O4'-C4' 118.913 10.348 . 0.156 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 204' ' ' ' C' . . . . . 0.658 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.35 -8.57 3 C1'-O4'-C4' 118.768 10.186 . 0.503 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 205' ' ' ' U' . . . . . 0.51 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.089 -30.374 2 C5'-C4'-O4' 136.784 19.703 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' B' B ' 206' ' ' ' A' . . . . . 0.619 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.138 -26.247 2 C5'-C4'-O4' 129.556 14.54 . 0.136 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 207' ' ' ' G' . . . . . 0.619 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.403 -4.194 3 C5'-C4'-O4' 132.346 16.533 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 011 nuclear nobuild full ' B' B ' 208' ' ' ' C' . . . . . 0.456 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.292 -13.409 2 C1'-O4'-C4' 117.915 9.239 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.481 " H2'" " C5'" ' B' ' 211' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.308 -12.106 2 C5'-C4'-O4' 139.724 21.803 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 011 nuclear nobuild full ' B' B ' 210' ' ' ' G' . . . . . 0.919 " H4'" ' CE1' ' A' ' 16' ' ' PHE . . . . . . . . 1 O4'--C4' 1.254 -16.586 3 C5'-C4'-O4' 144.87 25.479 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 011 nuclear nobuild full ' B' B ' 211' ' ' ' A' . . . . . 0.481 " C5'" " H2'" ' B' ' 209' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.407 -3.852 3 C5'-C4'-O4' 145.927 26.234 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . 0.474 " C4'" " H5'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.195 -21.523 1 C1'-O4'-C4' 114.277 5.197 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 011 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.622 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.323 -10.846 2 C1'-O4'-C4' 115.49 6.545 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 011 nuclear nobuild full ' B' B ' 214' ' ' ' C' . . . . . 0.622 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.403 -4.205 3 C1'-O4'-C4' 117.622 8.914 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' B' B ' 215' ' ' ' U' . . . . . 0.528 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.131 -26.829 2 C1'-O4'-C4' 122.454 14.282 . 0.175 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 216' ' ' ' A' . . . . . 0.455 " H2'" " O4'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.269 -15.297 3 C1'-O4'-C4' 116.724 7.915 . 0.287 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.553 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.399 -4.511 3 O4'-C4'-C3' 92.862 -9.027 . 0.112 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 218' ' ' ' U' . . . . . 0.553 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.376 -6.42 2 O4'-C4'-C3' 93.854 -8.319 . 0.014 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.516 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.381 -5.98 3 C5'-C4'-O4' 96.189 -9.294 . 0.292 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.396 3 C5'-C4'-O4' 96.992 -8.72 . 0.069 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 mmt . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.485 0.183 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.405 ' NE2' H5'' ' B' ' 202' ' ' ' G' . 0.9 OUTLIER -63.13 -64.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt 66.63 53.71 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.342 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.508 ' HA3' HH21 ' A' ' 7' ' ' ARG . . . -58.97 -26.52 60.96 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -59.05 -17.56 26.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 0.74 . . . . 0.0 109.258 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 6' ' ' PHE . 5.0 t80 -60.61 -15.95 33.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.508 HH21 ' HA3' ' A' ' 4' ' ' GLY . 9.3 mtt180 -61.17 -13.03 14.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.225 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.929 ' ND2' HG11 ' A' ' 13' ' ' VAL . 11.8 p-10 -56.39 -20.86 21.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.474 ' HA ' HG22 ' A' ' 13' ' ' VAL . 4.7 mt-30 -58.51 -14.93 9.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.47 HH21 " H3'" ' B' ' 206' ' ' ' A' . 7.9 ptt-85 -59.46 -14.91 14.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.712 ' O ' HG22 ' A' ' 12' ' ' THR . 0.0 OUTLIER -117.46 24.42 11.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.752 ' O ' HG23 ' A' ' 12' ' ' THR . 3.9 t 51.1 47.11 25.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.437 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.929 HG11 ' ND2' ' A' ' 8' ' ' ASN . 25.4 m -37.03 154.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.53 141.78 36.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.405 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 41.9 t -77.09 111.4 12.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 108.343 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.919 ' CE1' " H4'" ' B' ' 210' ' ' ' G' . 7.2 m-85 -73.11 1.01 9.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -93.39 -66.98 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.484 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 26.4 p -83.53 -43.91 15.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 108.306 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.488 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 107.71 30.13 4.14 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -99.23 -172.31 2.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 0.776 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -134.85 128.82 33.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.233 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.21 5.86 7.8 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.582 1.176 . . . . 0.0 111.033 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -166.54 159.02 13.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 0.79 . . . . 0.0 109.566 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.71 HG21 HD21 ' A' ' 8' ' ' ASN . 7.3 pt -111.07 159.15 11.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.455 ' O ' ' NH2' ' A' ' 32' ' ' ARG . . . -49.33 -38.22 27.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.537 ' HB2' HD11 ' A' ' 24' ' ' ILE . 6.1 mmmt -59.03 -43.59 91.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -91.58 5.65 48.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.078 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.4 ' HB2' ' HA ' ' A' ' 25' ' ' ALA . 47.4 t -79.97 139.65 36.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 108.273 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.9 -31.05 35.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.0 153.46 65.96 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 158.61 42.15 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.502 1.791 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.455 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -55.68 105.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.03 177.44 7.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 109.227 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.21 52.52 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.45 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -98.21 123.11 7.74 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.433 ' C ' ' H ' ' A' ' 38' ' ' LYS . 26.3 t -56.77 119.02 5.49 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.818 ' CZ2' ' C5 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -83.99 36.43 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.433 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.3 OUTLIER -130.9 -48.93 1.03 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.523 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.4 p -109.74 -32.3 7.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 108.266 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.84 22.38 18.28 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.544 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 4.2 tttt -95.81 127.3 41.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 0.722 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.45 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -87.49 119.95 28.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 110.312 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.66 -48.88 0.78 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.598 1.186 . . . . 0.0 111.038 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.544 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 15.7 p-80 -101.28 -179.65 4.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 0.788 . . . . 0.0 109.619 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.57 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 5.1 pt20 -129.2 158.18 39.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.362 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.3 ttt -50.57 -46.56 57.76 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -35.12 66.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.01 31.83 6.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.233 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.506 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.8 t -52.11 111.78 0.68 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 108.316 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.8 t -78.92 2.2 21.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.379 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -94.82 -60.16 1.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.75 103.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -178.02 114.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.41 136.44 56.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.2 p30 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 -179.94 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 201' ' ' ' G' . . . . . 0.404 " H2'" ' C8 ' ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.258 -16.236 2 C5'-C4'-O4' 136.919 19.799 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . 0.404 ' C8 ' " H2'" ' B' ' 201' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.261 -15.959 2 C1'-O4'-C4' 120.129 11.699 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' B' B ' 203' ' ' ' A' . . . . . 0.609 " H2'" ' C6 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.297 -12.994 2 C1'-O4'-C4' 118.529 9.921 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' B' B ' 204' ' ' ' C' . . . . . 0.609 ' C6 ' " H2'" ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.084 -30.714 2 C5'-C4'-O4' 131.239 15.742 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' B' B ' 205' ' ' ' U' . . . . . 0.461 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.111 -28.524 2 C1'-O4'-C4' 121.766 13.518 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' B' B ' 206' ' ' ' A' . . . . . 0.597 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.216 -19.755 2 C5'-C4'-O4' 135.098 18.498 OUTLIER-DELTA 0.085 1L . 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' B' B ' 207' ' ' ' G' . . . . . 0.597 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.397 -4.653 3 C5'-C4'-O4' 135.544 18.817 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 012 nuclear nobuild full ' B' B ' 208' ' ' ' C' . . . . . 0.473 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.157 -24.698 2 C5'-C4'-O4' 129.685 14.632 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.511 ' C2 ' ' C6 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.265 -15.672 1 C5'-C4'-O4' 144.965 25.547 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' B' B ' 210' ' ' ' G' . . . . . 0.81 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.358 -7.938 2 C5'-C4'-O4' 150.549 29.535 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' B' B ' 211' ' ' ' A' . . . . . 0.563 " H4'" ' CE2' ' A' ' 16' ' ' PHE . . . . . . . . 1 O4'--C4' 1.404 -4.119 2 C5'-C4'-O4' 144.631 25.308 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 012 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . 0.579 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.402 -4.226 1 O4'-C4'-C3' 92.469 -9.308 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.543 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.248 -17.095 2 C1'-O4'-C4' 117.505 8.783 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 012 nuclear nobuild full ' B' B ' 214' ' ' ' C' . . . . . 0.543 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.374 -6.62 2 C5'-C4'-O4' 122.785 9.703 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' B' B ' 215' ' ' ' U' . . . . . 0.53 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.235 -18.161 2 C5'-C4'-O4' 137.805 20.432 . 0.016 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B ' 216' ' ' ' A' . . . . . 0.406 " H2'" " O4'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.246 -17.246 2 C1'-O4'-C4' 117.587 8.874 . 0.014 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.538 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.401 -4.355 3 C5'-C4'-O4' 126.776 12.554 . 0.06 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B ' 218' ' ' ' U' . . . . . 0.538 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.339 -9.458 3 C1'-O4'-C4' 116.349 7.499 . 0.045 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.502 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.346 -8.901 3 C5'-C4'-O4' 96.714 -8.919 . 0.356 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.404 3 C5'-C4'-O4' 95.259 -9.958 . 0.045 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.4 ' O ' ' O ' ' A' ' 2' ' ' GLN . 14.6 mtp . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.572 0.225 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 1' ' ' MET . 2.2 tm0? 54.0 104.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? 70.74 58.5 0.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.7 -19.94 50.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.542 1.151 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -59.11 -16.52 19.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 0.732 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.41 ' CZ ' ' OE1' ' A' ' 9' ' ' GLN . 20.4 t80 -61.56 -18.35 58.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -60.36 -12.6 9.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.235 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.914 ' ND2' HG11 ' A' ' 13' ' ' VAL . 20.4 p-10 -55.96 -19.26 11.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.41 ' OE1' ' CZ ' ' A' ' 6' ' ' PHE . 53.0 mt-30 -61.54 -11.43 11.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.4 1.062 . . . . 0.0 110.374 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -79.55 3.62 18.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 110.321 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 10' ' ' ARG . 6.6 tttp -131.92 38.67 3.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.759 ' O ' HG23 ' A' ' 12' ' ' THR . 3.0 t 35.5 47.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.414 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.914 HG11 ' ND2' ' A' ' 8' ' ' ASN . 9.7 m -39.96 154.71 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -106.32 138.9 41.67 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.439 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 42.3 t -78.28 114.35 17.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 108.342 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.563 ' CE2' " H4'" ' B' ' 211' ' ' ' A' . 6.5 m-85 -77.81 8.23 4.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -102.25 -58.09 1.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.075 . . . . 0.0 109.242 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.447 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 24.8 p -94.9 -41.33 9.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.445 1.091 . . . . 0.0 108.378 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.491 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 103.67 28.21 6.07 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -110.71 141.36 44.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.767 . . . . 0.0 109.278 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -84.72 141.75 30.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.376 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.29 -24.7 5.28 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.118 . . . . 0.0 110.948 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -150.65 157.98 43.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 0.777 . . . . 0.0 109.526 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.798 HG21 HD21 ' A' ' 8' ' ' ASN . 12.5 pt -108.21 159.9 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.574 ' HB1' HH21 ' A' ' 32' ' ' ARG . . . -48.91 -36.8 18.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.43 ' HB2' HD11 ' A' ' 24' ' ' ILE . 5.7 mmtt -59.37 -45.41 91.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -97.34 14.37 26.4 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.478 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 53.5 t -83.65 145.92 28.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 108.313 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -84.79 -36.88 21.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.94 155.19 8.58 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 155.04 42.51 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.475 1.776 . . . . 0.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.574 HH21 ' HB1' ' A' ' 25' ' ' ALA . 4.2 mmp_? -54.85 103.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.354 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.22 -176.78 4.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.71 52.76 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.466 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -91.06 121.19 6.19 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.547 1.154 . . . . 0.0 110.961 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.429 ' C ' ' H ' ' A' ' 38' ' ' LYS . 18.0 t -58.06 119.38 6.69 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.81 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -83.93 37.55 0.6 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 107.982 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.429 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -131.99 -49.24 0.94 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.564 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.6 p -110.23 -31.72 7.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 108.269 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.45 22.9 20.57 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.549 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 1.5 tttt -95.28 121.47 36.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.398 0.705 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.466 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -81.5 117.44 21.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.17 -50.32 0.67 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.541 1.151 . . . . 0.0 111.045 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.564 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 16.6 p-80 -101.01 175.28 5.65 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.453 0.737 . . . . 0.0 109.532 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.57 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 1.1 pt20 -124.9 162.15 25.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.9 ttm -51.91 -45.45 64.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.455 1.097 . . . . 0.0 111.05 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -55.18 -34.29 63.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.23 33.88 5.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.479 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 39.3 t -56.66 112.04 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 108.228 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.0 t -85.56 4.91 33.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.385 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -94.27 -68.1 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.58 1.175 . . . . 0.0 110.248 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.8 81.14 0.17 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -164.52 166.39 20.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 110.27 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 55' ' ' ASN . . . -93.87 175.28 6.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 54' ' ' ALA . 4.6 m120 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 201' ' ' ' G' . . . . . 0.61 ' C6 ' ' C6 ' ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.382 -5.914 3 C1'-O4'-C4' 118.089 9.432 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . 0.61 ' C6 ' ' C6 ' ' B' ' 201' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.356 -8.062 2 C1'-O4'-C4' 118.521 9.912 . 0.191 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 203' ' ' ' A' . . . . . 0.658 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.351 -8.48 2 C1'-O4'-C4' 118.712 10.125 . 0.291 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 204' ' ' ' C' . . . . . 0.658 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.276 -14.791 2 C1'-O4'-C4' 119.999 11.555 . 0.531 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 205' ' ' ' U' . . . . . 0.489 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.34 -9.444 2 C1'-O4'-C4' 118.557 9.952 . 0.704 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 206' ' ' ' A' . . . . . 0.508 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.222 -19.288 2 C1'-O4'-C4' 120.541 12.157 . 0.358 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 207' ' ' ' G' . . . . . 0.508 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.362 -7.548 3 C5'-C4'-O4' 136.498 19.498 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 013 nuclear nobuild full ' B' B ' 208' ' ' ' C' . . . . . 0.501 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.142 -25.886 2 C5'-C4'-O4' 140.797 22.569 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.556 " H2'" " C5'" ' B' ' 211' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.205 -20.677 2 C5'-C4'-O4' 124.481 10.915 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' B' B ' 210' ' ' ' G' . . . . . 0.833 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.371 -6.815 2 C5'-C4'-O4' 151.282 30.059 . 0.015 7d . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 211' ' ' ' A' . . . . . 0.643 " H4'" ' CE2' ' A' ' 16' ' ' PHE . . . . . . . . 0 O4'--C4' 1.412 -3.443 2 C5'-C4'-O4' 142.47 23.764 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . 0.538 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.086 -30.552 2 C1'-O4'-C4' 122.783 14.648 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.672 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.233 -18.329 2 C5'-C4'-O4' 124.744 11.103 . 0.025 9a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 214' ' ' ' C' . . . . . 0.672 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.388 -5.401 3 C1'-O4'-C4' 118.009 9.344 . 0.467 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 215' ' ' ' U' . . . . . 0.549 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.157 -24.675 1 C1'-O4'-C4' 119.095 10.55 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 216' ' ' ' A' . . . . . 0.521 " H2'" ' C8 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.207 -20.533 1 C1'-O4'-C4' 117.708 9.009 . 0.078 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.533 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.401 -4.354 3 O4'-C4'-C3' 93.544 -8.54 . 0.273 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 218' ' ' ' U' . . . . . 0.533 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.398 -4.575 3 C5'-C4'-O4' 121.852 9.037 . 0.073 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.493 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.263 -15.807 2 C5'-C4'-O4' 127.416 13.011 . 0.121 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.393 -5.037 3 C1'-O4'-C4' 117.663 8.959 . 0.186 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 mmt . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.42 0.152 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -39.93 159.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.604 1.19 . . . . 0.0 110.281 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -146.71 51.85 1.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.369 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.17 -31.66 77.7 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.42 ' ND2' ' N7 ' ' B' ' 213' ' ' ' G' . 3.0 m-20 -60.47 -14.48 19.62 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.526 0.78 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.462 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 4.4 t80 -55.43 -27.52 48.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -15.0 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.358 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.909 ' ND2' HG11 ' A' ' 13' ' ' VAL . 21.1 p-10 -57.01 -17.31 9.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -59.55 -14.31 12.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.497 ' O ' ' CZ ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -81.02 5.85 15.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -131.06 37.01 3.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.76 ' O ' HG23 ' A' ' 12' ' ' THR . 2.7 t 34.71 46.61 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.42 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.909 HG11 ' ND2' ' A' ' 8' ' ' ASN . 11.3 m -41.83 154.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.513 ' HE3' ' CZ3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -106.12 140.18 39.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.426 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 43.2 t -80.21 112.48 17.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 108.26 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.643 ' CE2' " H4'" ' B' ' 211' ' ' ' A' . 6.1 m-85 -74.85 6.74 3.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -101.14 -64.52 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.404 ' O ' ' HB3' ' A' ' 37' ' ' TRP . 27.2 p -87.12 -41.35 13.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.587 1.179 . . . . 0.0 108.311 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.437 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 102.29 31.07 5.42 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.459 1.099 . . . . 0.0 111.054 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.21 143.08 45.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.407 0.71 . . . . 0.0 109.297 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 12' ' ' THR . 1.4 mt-10 -85.95 141.65 29.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.68 -28.74 4.38 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.401 ' O ' ' HB2' ' A' ' 15' ' ' CYS . 22.7 p-80 -146.04 158.32 43.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.604 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.827 HG21 HD21 ' A' ' 8' ' ' ASN . 15.3 pt -107.94 159.54 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.458 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -48.49 -36.21 14.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -59.45 -46.12 89.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -93.39 9.72 35.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 30' ' ' ALA . 48.5 t -83.15 125.86 31.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 108.26 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.423 ' HG2' ' N ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -72.93 -23.69 60.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.442 1.089 . . . . 0.0 110.318 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.468 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . . . -63.2 155.24 74.78 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 151.61 39.64 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.45 1.763 . . . . 0.0 111.041 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.8 mmm-85 -57.34 108.87 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.6 -175.97 3.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -147.27 53.47 1.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.464 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -95.81 124.49 8.05 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.571 1.169 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.448 ' C ' ' H ' ' A' ' 38' ' ' LYS . 14.6 t -58.7 117.89 5.07 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.833 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -82.87 38.21 0.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 107.979 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.448 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -131.77 -49.33 0.96 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.515 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.4 p -109.96 -32.99 6.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 108.263 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.49 22.39 14.53 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.557 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 1.8 tttt -95.42 127.84 41.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 0.756 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.464 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 1.9 pt-20 -87.67 120.19 28.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.59 -48.27 0.83 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.442 1.089 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.557 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 15.0 p-80 -102.38 177.0 4.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 0.73 . . . . 0.0 109.609 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.574 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 2.0 pt20 -126.09 158.5 35.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.14 . . . . 0.0 110.309 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.8 tmm? -51.0 -44.59 60.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.21 -35.98 67.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -114.11 32.74 5.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.499 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 35.5 t -53.66 111.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 108.31 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 t -79.64 3.4 19.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.361 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -155.79 79.02 1.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.1 ptt-85 -75.27 118.16 17.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 179.19 -179.36 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 65.13 -179.86 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.1 p30 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.246 -179.948 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.322 -10.904 2 C5'-C4'-O4' 128.737 13.955 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.365 -7.303 3 C5'-C4'-O4' 127.87 13.336 . 0.148 1L . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear nobuild full ' B' B ' 203' ' ' ' A' . . . . . 0.581 " H2'" ' C6 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.34 -9.412 2 C1'-O4'-C4' 118.61 10.012 . 0.016 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 204' ' ' ' C' . . . . . 0.637 " H2'" ' C6 ' ' B' ' 205' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.115 -28.146 2 C5'-C4'-O4' 139.332 21.523 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' B' B ' 205' ' ' ' U' . . . . . 0.637 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.4 -4.397 3 C5'-C4'-O4' 139.925 21.947 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 014 nuclear nobuild full ' B' B ' 206' ' ' ' A' . . . . . 0.527 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.296 -13.096 2 C1'-O4'-C4' 117.729 9.032 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' B' B ' 207' ' ' ' G' . . . . . 0.527 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.304 -12.426 3 C5'-C4'-O4' 127.223 12.874 . 0.105 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 208' ' ' ' C' . . . . . 0.488 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.396 -4.789 3 C5'-C4'-O4' 96.669 -8.951 . 0.01 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.5 ' N2 ' ' C5 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.259 -16.208 3 C5'-C4'-O4' 134.464 18.045 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 014 nuclear nobuild full ' B' B ' 210' ' ' ' G' . . . . . 0.821 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.113 -28.321 2 C1'-O4'-C4' 121.499 13.222 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 014 nuclear nobuild full ' B' B ' 211' ' ' ' A' . . . . . 0.566 ' C6 ' ' CB ' ' A' ' 25' ' ' ALA . . . . . . . . 0 O4'--C4' 1.408 -3.751 2 C5'-C4'-O4' 124.123 10.659 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . 0.565 " H4'" ' C8 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.107 -28.814 2 C1'-O4'-C4' 121.706 13.451 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 014 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.565 ' C8 ' " H4'" ' B' ' 212' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.26 -16.087 2 C5'-C4'-O4' 137.798 20.427 . 0.01 9a . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 214' ' ' ' C' . . . . . 0.558 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.401 -4.308 3 C5'-C4'-O4' 122.182 9.273 . 0.535 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 215' ' ' ' U' . . . . . 0.536 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.206 -20.555 2 C5'-C4'-O4' 135.821 19.015 . 0.014 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 216' ' ' ' A' . . . . . 0.464 " H2'" " O4'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.322 -10.927 2 O4'-C4'-C3' 95.611 -7.064 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.553 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.325 -10.673 3 C5'-C4'-O4' 128.444 13.746 . 0.068 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 218' ' ' ' U' . . . . . 0.553 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.322 -10.915 2 O4'-C4'-C3' 95.76 -6.957 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.538 ' C6 ' " H2'" ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.282 -14.243 2 C1'-O4'-C4' 118.267 9.63 . 0.781 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.399 -4.516 3 C5'-C4'-O4' 93.302 -11.355 . 0.117 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.513 0.197 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -54.79 -177.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt 67.53 55.6 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.32 -19.36 46.47 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.505 1.128 . . . . 0.0 111.056 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -55.58 -19.92 11.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 0.726 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.08 -15.18 8.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.377 1.048 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.445 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -60.21 -9.11 2.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.956 ' ND2' HG11 ' A' ' 13' ' ' VAL . 25.4 p-10 -57.01 -25.59 58.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -60.9 -11.02 6.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.445 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -80.39 0.4 33.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.082 . . . . 0.0 110.266 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 12' ' ' THR . 11.9 ttpt -128.07 38.2 4.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.637 1.211 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.746 ' O ' HG23 ' A' ' 12' ' ' THR . 3.6 t 35.67 48.04 0.43 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.424 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.956 HG11 ' ND2' ' A' ' 8' ' ' ASN . 9.9 m -39.1 154.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.85 134.18 51.88 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 42.6 t -72.04 113.42 9.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 108.287 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.466 ' CD2' ' C6 ' ' B' ' 212' ' ' ' G' . 6.5 m-85 -77.39 7.87 4.85 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.547 1.154 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -101.96 -58.63 1.84 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.568 1.167 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 27.4 p -93.53 -42.2 9.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 0.0 108.342 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 103.94 31.25 4.84 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.47 1.107 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.27 139.01 50.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 0.732 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -82.06 144.8 30.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.253 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.43 -22.7 6.95 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.483 1.115 . . . . 0.0 110.995 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.1 p-80 -152.51 157.46 41.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 109.587 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.763 HG21 HD21 ' A' ' 8' ' ' ASN . 14.6 pt -107.34 161.51 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.566 ' CB ' ' C6 ' ' B' ' 211' ' ' ' A' . . . -48.17 -36.95 14.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.37 -45.87 91.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -92.86 13.35 20.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.622 1.201 . . . . 0.0 109.319 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.428 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 48.9 t -84.91 138.33 32.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 108.377 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.6 ttt85 -79.95 -30.18 39.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.342 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.52 155.3 69.03 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.244 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 154.06 42.0 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.478 1.778 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.72 107.57 0.35 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.354 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.47 -175.84 3.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.57 54.55 0.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.235 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.463 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -98.14 126.9 9.05 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.454 ' C ' ' H ' ' A' ' 38' ' ' LYS . 13.2 t -58.23 118.53 5.59 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.821 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -82.45 38.47 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 108.018 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.454 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -132.67 -49.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 109.353 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.542 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.2 p -110.28 -32.87 6.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 108.289 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.62 20.68 18.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.438 1.087 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.586 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -93.69 127.91 39.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.463 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 18.0 pt-20 -87.31 123.07 31.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.19 -45.96 1.06 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.509 1.13 . . . . 0.0 110.965 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.586 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 9.7 p-80 -104.75 171.9 7.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.592 0.819 . . . . 0.0 109.638 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.58 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 2.9 pt20 -123.78 163.54 20.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.06 -49.72 60.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.478 ' CB ' ' OE1' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -53.36 -31.09 42.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.01 34.46 5.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.524 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.0 t -53.09 112.06 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 108.245 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.53 HG22 ' CE1' ' A' ' 44' ' ' HIS . 11.5 t -78.29 1.98 19.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.463 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -154.9 65.71 0.66 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.4 ptt-85 -57.41 139.55 52.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.63 151.11 0.44 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.31 -60.46 2.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.155 . . . . 0.0 109.23 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 64.6 t30 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.357 -179.944 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 201' ' ' ' G' . . . . . 0.415 " H2'" ' N9 ' ' B' ' 202' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.358 -7.937 3 C1'-O4'-C4' 118.488 9.875 . 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . 0.419 " H2'" ' C8 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.352 -8.396 2 C1'-O4'-C4' 118.592 9.991 . 0.213 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 203' ' ' ' A' . . . . . 0.607 " H2'" ' C6 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.349 -8.687 3 C1'-O4'-C4' 118.444 9.826 . 0.141 1m . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 204' ' ' ' C' . . . . . 0.607 ' C6 ' " H2'" ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.336 -9.728 2 C1'-O4'-C4' 117.442 8.713 . 0.334 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 205' ' ' ' U' . . . . . 0.525 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.363 -7.477 3 C5'-C4'-O4' 94.996 -10.146 . 0.23 7a . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 206' ' ' ' A' . . . . . 0.512 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.214 -19.956 2 C5'-C4'-O4' 133.998 17.713 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 5 4 . 1 . 015 nuclear nobuild full ' B' B ' 207' ' ' ' G' . . . . . 0.512 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.305 -12.316 3 C5'-C4'-O4' 134.515 18.082 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 015 nuclear nobuild full ' B' B ' 208' ' ' ' C' . . . . . 0.499 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.103 -29.152 2 C5'-C4'-O4' 132.056 16.325 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.483 " C2'" H5'' ' B' ' 210' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.204 -20.765 2 C5'-C4'-O4' 133.146 17.104 OUTLIER-DELTA 0.0 OUTLIER beta 0.0 . . . . . . . . . . 5 4 . 1 . 015 nuclear nobuild full ' B' B ' 210' ' ' ' G' . . . . . 0.807 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.204 -20.732 2 C5'-C4'-O4' 142.728 23.949 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 015 nuclear nobuild full ' B' B ' 211' ' ' ' A' . . . . . 0.561 ' C6 ' ' HB1' ' A' ' 25' ' ' ALA . . . . . . . . 0 O4'--C4' 1.406 -3.902 3 C5'-C4'-O4' 146.929 26.95 OUTLIER-DELTA 0.0 OUTLIER '7D dist 9a' 0.0 . . . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . 0.587 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.348 -8.716 2 O4'-C4'-C3' 94.685 -7.725 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.604 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.265 -15.681 2 C1'-O4'-C4' 117.98 9.311 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 015 nuclear nobuild full ' B' B ' 214' ' ' ' C' . . . . . 0.604 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.403 -4.132 2 C5'-C4'-O4' 129.319 14.371 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' B' B ' 215' ' ' ' U' . . . . . 0.566 ' O4 ' ' C4 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.129 -26.999 2 C5'-C4'-O4' 140.662 22.473 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 015 nuclear nobuild full ' B' B ' 216' ' ' ' A' . . . . . 0.484 " H2'" " O4'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.286 -13.941 3 C1'-O4'-C4' 118.537 9.93 . 0.147 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.623 ' C5 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.38 -6.053 3 C5'-C4'-O4' 129.176 14.269 . 0.037 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 218' ' ' ' U' . . . . . 0.623 ' C4 ' ' C5 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.375 -6.538 3 C5'-C4'-O4' 131.058 15.613 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.498 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.293 -13.334 3 C5'-C4'-O4' 148.683 28.202 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 015 nuclear nobuild full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.366 -7.267 2 O4'-C4'-C3' 94.764 -7.669 . 0.01 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 ttm . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.499 0.19 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -129.39 -47.13 1.19 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.37 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 80.89 67.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.157 . . . . 0.0 109.258 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.7 -31.42 71.3 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -57.92 -15.46 8.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 0.752 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.547 ' CZ ' ' HG3' ' A' ' 9' ' ' GLN . 32.6 t80 -58.34 -14.02 6.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.492 ' NH2' ' N6 ' ' B' ' 206' ' ' ' A' . 1.1 ptt180 -56.06 -17.67 7.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.923 ' ND2' HG11 ' A' ' 13' ' ' VAL . 14.8 p-10 -55.75 -18.69 8.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.36 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.547 ' HG3' ' CZ ' ' A' ' 6' ' ' PHE . 0.5 OUTLIER -60.43 -12.53 9.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.366 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.507 ' CZ ' ' OP2' ' B' ' 206' ' ' ' A' . 0.0 OUTLIER -68.8 -7.18 31.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 12' ' ' THR . 13.6 ttpp -126.52 39.55 3.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.767 ' O ' HG23 ' A' ' 12' ' ' THR . 3.7 t 35.18 48.89 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.923 HG11 ' ND2' ' A' ' 8' ' ' ASN . 11.6 m -37.3 154.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.235 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.25 133.37 50.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.383 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.2 t -67.71 112.21 4.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.451 1.094 . . . . 0.0 108.273 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.642 ' CE1' " H4'" ' B' ' 210' ' ' ' G' . 1.3 m-85 -75.4 4.12 7.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -96.97 -65.64 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 109.359 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 37' ' ' TRP . 26.3 p -84.38 -40.65 17.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.565 1.166 . . . . 0.0 108.315 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.545 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 104.64 28.88 5.53 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -98.4 -171.21 2.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -135.16 128.0 31.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.085 . . . . 0.0 110.311 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 122.73 11.67 5.34 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -173.78 157.78 3.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.619 0.834 . . . . 0.0 109.578 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.768 HG21 HD21 ' A' ' 8' ' ' ASN . 12.2 pt -110.9 159.41 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.561 ' HB1' ' C6 ' ' B' ' 211' ' ' ' A' . . . -49.73 -36.1 24.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.441 ' HB2' HD11 ' A' ' 24' ' ' ILE . 5.4 mmmt -59.05 -44.73 91.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -92.98 5.83 50.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.62 1.2 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.465 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 42.5 t -80.09 135.48 36.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 108.285 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -30.5 61.84 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.82 150.22 94.99 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 157.72 42.57 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.481 1.78 . . . . 0.0 110.952 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.46 ' NH2' ' O ' ' A' ' 25' ' ' ALA . 0.2 OUTLIER -56.16 102.07 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -122.12 -177.63 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.594 1.184 . . . . 0.0 109.305 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.51 49.76 1.6 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.566 1.166 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.34 120.33 6.08 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.536 1.148 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.432 ' C ' ' H ' ' A' ' 38' ' ' LYS . 11.9 t -60.15 116.81 4.47 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.807 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -83.28 39.53 0.66 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.13 . . . . 0.0 107.979 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.432 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -131.96 -48.9 0.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.524 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 17.7 p -108.79 -33.03 7.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 108.262 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.15 25.21 11.42 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.557 1.16 . . . . 0.0 111.062 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.546 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -97.77 128.41 44.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 109.336 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -88.26 115.73 25.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 110.344 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 145.0 -50.4 0.64 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.539 1.149 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.546 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 20.1 p-80 -100.91 178.51 4.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 0.751 . . . . 0.0 109.656 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.576 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 1.4 pt20 -131.03 163.86 26.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.343 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.6 ttp -52.23 -40.15 61.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -55.07 -33.48 62.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.394 1.059 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -123.9 39.85 3.87 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.476 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 35.0 t -57.81 112.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 108.255 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.5 t -83.92 4.74 28.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.417 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.411 ' HG3' ' CB ' ' A' ' 39' ' ' CYS . 12.2 pt-20 -162.9 84.67 0.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.37 148.89 47.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 110.321 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.412 ' O ' ' CD ' ' A' ' 38' ' ' LYS . 9.1 tp60 179.72 164.04 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -108.24 59.86 0.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.399 -4.477 3 C5'-C4'-O4' 131.616 16.011 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.377 -6.306 2 C1'-O4'-C4' 118.211 9.568 . 0.026 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear nobuild full ' B' B ' 203' ' ' ' A' . . . . . 0.628 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.263 -15.827 2 C1'-O4'-C4' 119.657 11.174 . 0.342 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 204' ' ' ' C' . . . . . 0.628 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.345 -8.976 2 C1'-O4'-C4' 118.41 9.789 . 0.028 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 205' ' ' ' U' . . . . . 0.474 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.401 -4.292 3 C1'-O4'-C4' 116.82 8.022 . 0.385 7a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 206' ' ' ' A' . . . . . 0.745 ' H62' HH21 ' A' ' 7' ' ' ARG . . . . . . . . 1 O4'--C4' 1.205 -20.682 2 C1'-O4'-C4' 120.756 12.395 . 0.031 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 207' ' ' ' G' . . . . . 0.534 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.398 -4.594 3 C5'-C4'-O4' 126.791 12.565 . 0.039 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 208' ' ' ' C' . . . . . 0.47 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.279 -14.504 3 C1'-O4'-C4' 117.942 9.269 . 0.01 7a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.645 ' N2 ' ' C6 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.31 -11.941 2 C5'-C4'-O4' 136.407 19.433 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 016 nuclear nobuild full ' B' B ' 210' ' ' ' G' . . . . . 0.834 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.072 -31.749 1 C1'-O4'-C4' 123.627 15.586 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 016 nuclear nobuild full ' B' B ' 211' ' ' ' A' . . . . . 0.526 " H4'" ' OP2' ' B' ' 212' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.39 -5.282 1 C5'-C4'-O4' 98.688 -7.509 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 5 4 . 1 . 016 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . 0.581 " H4'" ' C8 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.127 -27.188 2 C1'-O4'-C4' 119.354 10.838 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 5 4 . 1 . 016 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.645 ' C6 ' ' N2 ' ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.248 -17.055 2 C1'-O4'-C4' 118.468 9.853 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' B' B ' 214' ' ' ' C' . . . . . 0.568 ' C4 ' ' O4 ' ' B' ' 215' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.402 -4.219 3 C5'-C4'-O4' 122.561 9.544 . 0.3 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 215' ' ' ' U' . . . . . 0.568 ' O4 ' ' C4 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.137 -26.31 2 C5'-C4'-O4' 141.097 22.783 OUTLIER-DELTA 0.024 1a . 0.0 . . . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' B' B ' 216' ' ' ' A' . . . . . 0.508 ' C8 ' " H2'" ' B' ' 215' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.312 -11.76 2 C1'-O4'-C4' 116.913 8.126 . 0.478 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.519 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.311 -11.862 3 C5'-C4'-O4' 125.3 11.5 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 218' ' ' ' U' . . . . . 0.519 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.389 -5.316 3 C5'-C4'-O4' 122.902 9.787 . 0.165 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.489 ' C4 ' ' N4 ' ' B' ' 220' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.313 -11.675 2 C5'-C4'-O4' 126.845 12.604 . 0.082 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 220' ' ' ' C' . . . . . 0.489 ' N4 ' ' C4 ' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.353 -8.31 2 C5'-C4'-O4' 150.845 29.747 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 mtm . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.455 0.169 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 79.7 51.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.3 mmtm 71.65 59.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.61 -27.88 61.86 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.115 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.501 ' CB ' ' OP2' ' B' ' 213' ' ' ' G' . 4.6 t30 -59.66 -16.29 25.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 0.774 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -60.16 -14.05 15.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.745 HH21 ' H62' ' B' ' 206' ' ' ' A' . 21.6 ptt-85 -60.62 -13.44 14.43 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.518 1.136 . . . . 0.0 110.251 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.914 ' ND2' HG11 ' A' ' 13' ' ' VAL . 20.7 p-10 -56.15 -18.78 11.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.353 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.553 ' HA ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -59.8 -14.83 16.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.575 1.172 . . . . 0.0 110.278 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.678 HH21 ' HB2' ' A' ' 7' ' ' ARG . 5.7 ptp180 -59.96 -14.83 17.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.351 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.467 ' CG ' ' O ' ' A' ' 11' ' ' LYS . 5.6 ttpp -117.3 35.77 4.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.367 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.758 ' O ' HG23 ' A' ' 12' ' ' THR . 3.8 t 36.64 48.49 0.64 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 110.408 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.914 HG11 ' ND2' ' A' ' 8' ' ' ASN . 10.7 m -38.63 155.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.363 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -105.83 143.87 33.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.428 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 45.2 t -79.93 111.63 16.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 108.312 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.445 ' CD2' ' C6 ' ' B' ' 212' ' ' ' G' . 14.2 m-85 -72.21 -0.12 11.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -92.64 -68.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.478 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 26.5 p -82.44 -44.09 16.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 108.27 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.525 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 107.24 30.27 4.21 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.446 1.091 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -98.89 -172.15 2.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.367 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -134.43 127.11 30.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.396 1.06 . . . . 0.0 110.358 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.74 3.6 7.03 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.519 1.137 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 -166.03 160.22 16.31 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 0.79 . . . . 0.0 109.618 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.612 HG21 HD21 ' A' ' 8' ' ' ASN . 6.0 pt -112.47 161.26 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.8 -40.19 40.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.523 ' HB2' HD11 ' A' ' 24' ' ' ILE . 4.1 mmmt -58.82 -42.29 88.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -95.31 12.0 30.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 24' ' ' ILE . 44.1 t -84.6 134.22 34.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 108.362 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -30.98 56.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 110.345 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.01 158.74 24.09 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 148.99 35.97 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.441 1.759 . . . . 0.0 110.958 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 -58.62 110.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 110.371 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -142.83 -174.52 4.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.79 49.83 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.496 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -84.46 126.06 7.45 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.576 1.173 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.467 ' C ' ' H ' ' A' ' 38' ' ' LYS . 26.3 t -59.63 123.56 17.3 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.834 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -82.8 35.22 0.46 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.48 1.112 . . . . 0.0 108.009 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.2 OUTLIER -133.51 -49.86 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.544 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.4 p -109.98 -31.85 7.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 108.325 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.8 21.72 22.86 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.556 1.16 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.49 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 5.4 tptt -94.29 123.87 37.96 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.435 0.727 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.496 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 22.7 pt-20 -83.35 114.91 21.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.62 -52.91 0.53 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.444 1.09 . . . . 0.0 111.026 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.544 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 25.5 p-80 -98.48 174.46 6.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.42 0.718 . . . . 0.0 109.602 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.559 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 6.6 pt20 -121.97 159.86 26.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.381 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.6 tmm? -52.05 -40.22 60.78 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.48 1.112 . . . . 0.0 111.037 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.07 -33.74 63.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.574 1.171 . . . . 0.0 109.405 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -119.54 37.04 4.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.371 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 35.6 t -58.17 111.32 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.592 1.183 . . . . 0.0 108.281 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.0 t -80.77 4.72 18.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.393 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.458 ' HG3' ' CB ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -96.65 -58.5 2.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.339 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 68.68 77.18 0.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -170.03 177.12 4.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -149.56 155.6 40.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 47.8 t30 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.399 -4.488 3 C5'-C4'-O4' 131.235 15.739 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.376 -6.4 2 C1'-O4'-C4' 118.102 9.447 . 0.151 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' B' B ' 203' ' ' ' A' . . . . . 0.654 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.325 -10.667 3 C1'-O4'-C4' 118.59 9.988 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' B' B ' 204' ' ' ' C' . . . . . 0.654 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.399 -4.485 2 C1'-O4'-C4' 117.341 8.601 . 0.619 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' B' B ' 205' ' ' ' U' . . . . . 0.49 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.261 -15.992 2 C1'-O4'-C4' 119.289 10.765 . 0.254 7a . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' B' B ' 206' ' ' ' A' . . . . . 0.533 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.278 -14.601 3 C5'-C4'-O4' 126.177 12.126 . 0.085 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' B' B ' 207' ' ' ' G' . . . . . 0.533 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.303 -12.468 3 C5'-C4'-O4' 125.611 11.722 . 0.013 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' B' B ' 208' ' ' ' C' . . . . . 0.4 ' N3 ' ' N1 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.123 -27.476 1 C1'-O4'-C4' 120.936 12.596 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.496 " C3'" H5'' ' B' ' 210' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.368 -7.113 3 C5'-C4'-O4' 121.004 8.431 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' B' B ' 210' ' ' ' G' . . . . . 0.857 " H4'" ' CE1' ' A' ' 16' ' ' PHE . . . . . . . . 1 O4'--C4' 1.38 -6.051 2 C5'-C4'-O4' 151.342 30.102 OUTLIER-DELTA 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 5 4 . 1 . 017 nuclear nobuild full ' B' B ' 211' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.108 2 C5'-C4'-O4' 139.019 21.299 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . 0.597 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.159 -24.489 2 C5'-C4'-O4' 94.766 -10.31 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 017 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.612 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.271 -15.198 2 C5'-C4'-O4' 130.419 15.157 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' B' B ' 214' ' ' ' C' . . . . . 0.612 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.395 -4.846 2 C5'-C4'-O4' 127.532 13.094 . 0.33 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' B' B ' 215' ' ' ' U' . . . . . 0.531 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.106 -28.945 2 C5'-C4'-O4' 138.727 21.09 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' B' B ' 216' ' ' ' A' . . . . . 0.467 " H2'" " O4'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.31 -11.893 3 C5'-C4'-O4' 122.871 9.765 . 0.404 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.535 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.4 -4.397 3 O4'-C4'-C3' 93.669 -8.451 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' B' B ' 218' ' ' ' U' . . . . . 0.535 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.36 -7.76 2 O4'-C4'-C3' 94.49 -7.864 . 0.059 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.508 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.401 -4.369 3 O4'-C4'-C3' 93.582 -8.513 . 0.454 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' B' B ' 220' ' ' ' C' . . . . . 0.424 ' N4 ' ' C4 ' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.399 -4.477 2 C1'-O4'-C4' 117.689 8.988 . 0.075 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.37 0 CA-C-O 120.423 0.154 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -46.67 172.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 110.293 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 72.71 60.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.343 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.89 -21.57 55.83 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.571 1.169 . . . . 0.0 110.923 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -61.6 -14.04 27.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -58.05 -20.4 38.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.93 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.52 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 6.0 mmp_? -59.32 -11.73 4.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 1.081 ' ND2' HG11 ' A' ' 13' ' ' VAL . 50.1 t30 -58.03 -38.52 76.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.652 ' HA ' HG22 ' A' ' 13' ' ' VAL . 4.9 mp0 -62.25 -11.85 17.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.412 1.07 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.52 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 16.8 ptt85 -63.43 -10.8 18.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.496 ' CG ' ' O ' ' A' ' 11' ' ' LYS . 1.2 tttm -118.48 37.28 4.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.355 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.79 ' O ' HG23 ' A' ' 12' ' ' THR . 1.6 t 38.27 45.29 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.415 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.081 HG11 ' ND2' ' A' ' 8' ' ' ASN . 25.6 m -42.41 154.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.558 ' HD3' ' CH2' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -100.53 126.45 46.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.498 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 42.6 t -62.24 121.35 12.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 108.296 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.857 ' CE1' " H4'" ' B' ' 210' ' ' ' G' . 4.1 m-85 -82.5 14.59 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -113.79 -45.51 3.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 22.2 p -112.39 -37.74 4.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 108.312 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.498 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 110.15 -18.67 28.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.127 . . . . 0.0 111.009 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.55 136.71 56.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 0.729 . . . . 0.0 109.234 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.94 143.56 27.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.298 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.15 -40.62 1.7 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -130.79 157.6 42.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 109.623 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.765 ' CG2' HG21 ' A' ' 13' ' ' VAL . 16.1 pt -104.69 157.63 5.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.164 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.469 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -47.52 -35.78 9.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.445 ' HG3' ' C8 ' ' B' ' 212' ' ' ' G' . 1.9 mmmt -59.53 -47.41 85.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -93.26 10.25 32.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.469 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 43.7 t -80.89 137.3 36.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 108.345 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.77 -30.72 32.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.343 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.08 155.32 8.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 154.19 42.43 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.505 1.792 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.39 104.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.39 179.44 5.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.582 1.176 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.6 mtmt -148.93 54.11 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.439 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -101.38 125.95 8.74 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.426 ' C ' ' H ' ' A' ' 38' ' ' LYS . 18.9 t -59.49 118.79 6.45 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.808 ' CZ2' ' C5 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -84.21 37.7 0.63 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 0.0 107.997 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.426 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.3 OUTLIER -131.68 -48.84 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.519 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.6 p -109.25 -32.02 7.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 108.297 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.34 23.11 17.55 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.572 1.17 . . . . 0.0 110.958 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.523 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -96.73 129.88 44.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 0.742 . . . . 0.0 109.276 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.439 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -89.42 121.31 31.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 110.273 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.33 -48.35 0.84 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.585 1.178 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.523 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 17.8 p-80 -102.36 179.58 4.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 0.79 . . . . 0.0 109.555 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.58 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 1.5 pt20 -130.08 161.37 31.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.4 ttp -50.7 -43.94 57.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 111.065 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -36.81 68.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -114.05 33.48 5.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.495 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 35.7 t -55.05 111.46 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 108.307 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.1 t -78.67 2.42 19.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.382 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -149.03 69.04 1.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.098 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -72.04 73.4 0.89 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.254 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -170.63 99.98 0.24 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -127.25 -61.88 1.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.396 -4.723 3 C5'-C4'-O4' 123.793 10.423 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.349 -8.7 2 C1'-O4'-C4' 118.746 10.163 . 0.118 1L . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear nobuild full ' B' B ' 203' ' ' ' A' . . . . . 0.614 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.365 -7.354 2 C1'-O4'-C4' 117.87 9.188 . 0.527 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 204' ' ' ' C' . . . . . 0.614 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.28 -14.456 2 C1'-O4'-C4' 119.806 11.34 . 0.701 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 205' ' ' ' U' . . . . . 0.515 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.362 -7.568 3 O4'-C4'-C3' 94.119 -8.129 . 0.203 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 206' ' ' ' A' . . . . . 0.567 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.245 -17.329 2 C5'-C4'-O4' 134.937 18.383 OUTLIER-DELTA 0.032 1L . 0.0 . . . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' B' B ' 207' ' ' ' G' . . . . . 0.567 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.394 -4.9 3 C5'-C4'-O4' 134.984 18.417 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 018 nuclear nobuild full ' B' B ' 208' ' ' ' C' . . . . . 0.503 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.162 -24.266 2 C5'-C4'-O4' 137.169 19.978 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.54 ' N2 ' ' C6 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.23 -18.614 1 C5'-C4'-O4' 143.745 24.675 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' B' B ' 210' ' ' ' G' . . . . . 0.812 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.349 -8.708 2 C5'-C4'-O4' 150.193 29.281 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' B' B ' 211' ' ' ' A' . . . . . 0.673 " H4'" ' CE2' ' A' ' 16' ' ' PHE . . . . . . . . 0 O4'--C4' 1.408 -3.742 2 C5'-C4'-O4' 142.76 23.972 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . 0.432 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.162 -24.281 1 C1'-O4'-C4' 116.609 7.787 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 5 4 . 1 . 018 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.607 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.216 -19.71 2 C1'-O4'-C4' 119.89 11.433 . 0.019 9a . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 214' ' ' ' C' . . . . . 0.607 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.402 -4.228 2 C1'-O4'-C4' 117.798 9.109 . 0.587 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 215' ' ' ' U' . . . . . 0.51 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.224 -19.047 1 C1'-O4'-C4' 119.161 10.623 . 0.384 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 216' ' ' ' A' . . . . . 0.496 ' C6 ' ' C6 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.335 -9.833 2 O4'-C4'-C3' 95.191 -7.363 . 0.182 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.674 ' C5 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.33 -10.23 3 C5'-C4'-O4' 124.932 11.237 . 0.111 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 218' ' ' ' U' . . . . . 0.674 ' C4 ' ' C5 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.261 -15.977 2 C5'-C4'-O4' 136.141 19.243 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 018 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.487 ' C6 ' " H2'" ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.264 -15.786 3 C5'-C4'-O4' 147.05 27.035 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 018 nuclear nobuild full ' B' B ' 220' ' ' ' C' . . . . . 0.477 ' C6 ' " H2'" ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.304 -12.42 3 C1'-O4'-C4' 118.211 9.568 . 0.02 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.578 ' HE3' ' HB2' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.491 0.186 . . . . 0.0 111.019 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.578 ' HB2' ' HE3' ' A' ' 1' ' ' MET . 0.1 OUTLIER -128.11 78.01 1.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 110.352 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.5 69.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.67 -15.48 40.97 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.488 1.118 . . . . 0.0 111.022 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.503 ' CB ' ' OP2' ' B' ' 213' ' ' ' G' . 12.1 t30 -58.8 -19.55 42.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.431 ' CZ ' ' OD1' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -58.71 -14.22 7.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 111.072 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.46 ' CZ ' ' HA ' ' A' ' 5' ' ' ASN . 1.1 ptt85 -60.03 -10.16 3.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.96 ' ND2' HG11 ' A' ' 13' ' ' VAL . 22.4 p-10 -56.51 -31.64 64.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.561 ' HA ' HG22 ' A' ' 13' ' ' VAL . 54.8 mt-30 -55.62 -17.92 6.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.587 1.179 . . . . 0.0 110.272 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.92 -15.72 14.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.258 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.904 ' HE3' HG12 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -112.81 23.3 13.6 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.779 ' O ' HG23 ' A' ' 12' ' ' THR . 2.2 t 52.87 46.47 26.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.96 HG11 ' ND2' ' A' ' 8' ' ' ASN . 28.6 m -38.28 156.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -104.02 136.89 42.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.4 t -73.23 112.52 9.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 108.344 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.673 ' CE2' " H4'" ' B' ' 211' ' ' ' A' . 12.4 m-85 -77.56 5.09 9.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 110.957 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -96.84 -56.49 2.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.347 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.442 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 27.9 p -95.65 -44.4 7.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 108.332 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.6 30.38 3.55 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.557 1.161 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -100.17 -171.74 2.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 0.812 . . . . 0.0 109.241 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -134.7 131.35 37.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.45 15.77 6.32 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.429 1.081 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -176.16 158.93 2.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 0.729 . . . . 0.0 109.545 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.653 HG21 HD21 ' A' ' 8' ' ' ASN . 7.6 pt -110.05 162.17 7.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.451 ' HB3' ' C2 ' ' B' ' 211' ' ' ' A' . . . -49.37 -39.66 32.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.484 ' HB2' HD11 ' A' ' 24' ' ' ILE . 5.7 mmmt -59.82 -42.58 93.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.35 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.431 ' OD1' ' CZ ' ' A' ' 6' ' ' PHE . 88.2 m-20 -89.61 9.15 27.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.404 ' HB2' ' HA ' ' A' ' 25' ' ' ALA . 35.1 t -83.95 134.67 34.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 108.305 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -75.82 -26.35 57.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.84 158.92 81.78 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 149.83 37.52 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 111.029 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.54 106.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.265 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.76 -175.91 3.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.28 50.12 1.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.47 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -90.44 119.91 5.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.437 ' C ' ' H ' ' A' ' 38' ' ' LYS . 12.6 t -56.5 120.64 8.06 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.812 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -83.69 38.89 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 108.017 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.437 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -133.52 -49.4 0.84 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.545 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.6 p -110.22 -31.79 7.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 108.296 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.75 21.27 21.86 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.509 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -93.76 126.85 39.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.754 . . . . 0.0 109.327 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.47 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -86.91 112.81 22.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.168 . . . . 0.0 110.235 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 150.29 -53.74 0.5 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.545 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 27.0 p-80 -97.08 174.55 6.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.434 0.726 . . . . 0.0 109.589 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.543 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 7.3 pt20 -121.9 160.51 24.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 0.0 110.288 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -52.91 -37.47 60.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.54 -36.29 66.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.69 36.31 4.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.411 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 35.0 t -54.25 111.68 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 108.315 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.0 t -79.5 3.08 19.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 110.394 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.47 -42.46 7.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.233 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 65.87 171.97 0.23 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -39.59 -62.05 0.74 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.493 1.121 . . . . 0.0 110.364 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 53.99 178.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.3 t30 . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.413 3 C5'-C4'-O4' 130.711 15.365 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.352 -8.455 2 C1'-O4'-C4' 118.622 10.024 . 0.021 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' B' B ' 203' ' ' ' A' . . . . . 0.622 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.362 -7.553 3 C1'-O4'-C4' 117.91 9.233 . 0.61 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' B' B ' 204' ' ' ' C' . . . . . 0.622 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.306 -12.242 2 C1'-O4'-C4' 119.407 10.897 . 0.483 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' B' B ' 205' ' ' ' U' . . . . . 0.534 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.401 -4.363 3 C1'-O4'-C4' 117.575 8.861 . 0.123 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' B' B ' 206' ' ' ' A' . . . . . 0.461 " H2'" " O4'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.155 -24.795 2 C1'-O4'-C4' 121.93 13.7 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' B' B ' 207' ' ' ' G' . . . . . 0.518 " H2'" ' C6 ' ' B' ' 208' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.253 -16.653 3 C5'-C4'-O4' 132.664 16.76 OUTLIER-DELTA 0.01 1a . 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' B' B ' 208' ' ' ' C' . . . . . 0.518 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.08 -31.044 2 C5'-C4'-O4' 130.571 15.265 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.461 " C4'" ' C8 ' ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.26 -16.088 1 C5'-C4'-O4' 145.264 25.76 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' B' B ' 210' ' ' ' G' . . . . . 0.827 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.359 -7.859 2 C5'-C4'-O4' 150.959 29.828 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 019 nuclear nobuild full ' B' B ' 211' ' ' ' A' . . . . . 0.491 ' C2 ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 1 O4'--C4' 1.401 -4.315 2 C5'-C4'-O4' 141.321 22.944 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 5 4 . 1 . 019 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . 0.503 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.394 -4.942 3 C1'-O4'-C4' 117.682 8.98 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.537 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.248 -17.071 2 C1'-O4'-C4' 119.97 11.522 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 019 nuclear nobuild full ' B' B ' 214' ' ' ' C' . . . . . 0.54 " H2'" ' C6 ' ' B' ' 215' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.402 -4.22 3 C1'-O4'-C4' 117.777 9.086 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' B' B ' 215' ' ' ' U' . . . . . 0.54 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.14 -26.11 2 C1'-O4'-C4' 122.297 14.108 . 0.072 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' B' B ' 216' ' ' ' A' . . . . . 0.46 " H2'" " O4'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.271 -15.149 2 C1'-O4'-C4' 115.981 7.09 . 0.316 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.56 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.387 -5.464 3 C5'-C4'-O4' 124.942 11.244 . 0.058 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' B' B ' 218' ' ' ' U' . . . . . 0.56 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.344 -9.117 3 C1'-O4'-C4' 117.294 8.549 . 0.043 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.503 ' C6 ' " H2'" ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.343 -9.203 3 C1'-O4'-C4' 118.808 10.231 . 0.116 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' B' B ' 220' ' ' ' C' . . . . . 0.422 ' C5 ' " H2'" ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.327 -10.531 3 C5'-C4'-O4' 149.936 29.097 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.513 0.197 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -59.27 -177.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.332 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.44 60.25 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.87 -24.29 57.59 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.433 1.083 . . . . 0.0 110.998 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -57.12 -20.79 27.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 0.787 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.466 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 1.4 t80 -60.52 -15.49 27.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -13.32 12.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.43 1.081 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.901 ' ND2' HG11 ' A' ' 13' ' ' VAL . 13.4 p-10 -55.69 -19.2 9.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.347 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.61 ' HA ' HG22 ' A' ' 13' ' ' VAL . 35.2 mt-30 -59.54 -13.91 11.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.432 ' NH2' " H3'" ' B' ' 206' ' ' ' A' . 17.0 ptt180 -63.39 -11.75 25.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.414 1.071 . . . . 0.0 110.32 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' THR . 11.7 ttpp -122.92 39.24 4.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.763 ' O ' HG23 ' A' ' 12' ' ' THR . 3.4 t 36.78 48.92 0.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.901 HG11 ' ND2' ' A' ' 8' ' ' ASN . 10.2 m -37.66 154.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.537 1.148 . . . . 0.0 109.22 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.57 ' HE2' ' CZ3' ' A' ' 37' ' ' TRP . 0.8 OUTLIER -104.65 135.57 45.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.2 t -74.88 115.32 14.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 108.291 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.601 ' CE1' " H4'" ' B' ' 210' ' ' ' G' . 12.9 m-85 -79.91 10.49 4.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.597 1.186 . . . . 0.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -103.89 -50.33 3.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -103.94 -42.86 5.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 108.322 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.8 29.87 4.49 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.96 139.17 50.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 0.743 . . . . 0.0 109.262 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.6 140.82 31.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.69 2.91 8.66 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -175.97 158.66 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.766 . . . . 0.0 109.606 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.74 HG21 HD21 ' A' ' 8' ' ' ASN . 8.4 pt -109.69 158.03 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.491 ' HB3' ' C2 ' ' B' ' 211' ' ' ' A' . . . -48.34 -37.33 16.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.493 ' HB2' HD11 ' A' ' 24' ' ' ILE . 3.8 mmmt -59.08 -45.94 89.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.386 1.054 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -93.95 9.36 37.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 109.309 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.475 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 48.7 t -81.39 130.5 35.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 108.29 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -68.27 -32.09 72.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.34 154.09 44.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.383 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 155.73 42.93 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.485 1.781 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.19 105.55 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.248 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.9 -177.13 4.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -150.71 55.01 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.454 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -99.68 127.93 9.41 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.436 1.085 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.43 ' HA ' ' O6 ' ' B' ' 210' ' ' ' G' . 35.3 t -62.51 118.77 8.01 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.827 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -85.32 35.48 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.424 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -129.69 -48.35 1.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.542 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.6 p -109.92 -31.86 7.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 108.263 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.02 22.38 20.44 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.545 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.9 OUTLIER -96.28 125.9 41.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.339 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.454 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.4 OUTLIER -86.35 121.56 29.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.251 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 139.48 -47.75 0.89 Allowed Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.545 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 14.6 p-80 -103.03 -177.84 3.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 0.8 . . . . 0.0 109.577 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.576 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 2.5 pt20 -133.54 158.8 42.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.248 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.4 ttt -50.68 -42.8 57.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.13 -37.6 69.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.18 34.29 5.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.526 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 33.8 t -52.47 112.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 108.318 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.0 t -78.0 1.69 20.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.425 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -149.55 68.88 1.03 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -43.89 135.21 4.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.346 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 178.95 142.49 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -119.6 -61.54 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.411 1.069 . . . . 0.0 109.371 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.396 -4.762 3 C1'-O4'-C4' 117.499 8.776 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.384 -5.766 2 C1'-O4'-C4' 118.067 9.408 . 0.43 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear nobuild full ' B' B ' 203' ' ' ' A' . . . . . 0.613 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.345 -8.965 2 C1'-O4'-C4' 118.597 9.996 . 0.653 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' B' B ' 204' ' ' ' C' . . . . . 0.613 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.322 -10.89 3 C1'-O4'-C4' 119.114 10.571 . 0.853 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' B' B ' 205' ' ' ' U' . . . . . 0.512 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.401 -4.35 2 O4'-C4'-C3' 93.528 -8.551 . 0.17 7a . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' B' B ' 206' ' ' ' A' . . . . . 0.503 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.248 -17.09 3 C5'-C4'-O4' 126.299 12.213 . 0.079 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' B' B ' 207' ' ' ' G' . . . . . 0.503 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.339 -9.51 3 C5'-C4'-O4' 129.315 14.368 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' B' B ' 208' ' ' ' C' . . . . . 0.488 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.12 -27.752 2 C1'-O4'-C4' 122.771 14.634 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.41 HO2' " H5'" ' B' ' 210' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.404 -4.114 3 C5'-C4'-O4' 143.032 24.166 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 020 nuclear nobuild full ' B' B ' 210' ' ' ' G' . . . . . 0.818 ' C5 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.229 -18.633 2 C5'-C4'-O4' 141.767 23.262 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 020 nuclear nobuild full ' B' B ' 211' ' ' ' A' . . . . . 0.411 HO2' ' P ' ' B' ' 212' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.405 -3.998 2 C5'-C4'-O4' 141.563 23.116 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . 0.617 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.137 -26.353 2 C1'-O4'-C4' 120.151 11.723 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 020 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.607 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.263 -15.829 2 C5'-C4'-O4' 137.3 20.071 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' B' B ' 214' ' ' ' C' . . . . . 0.607 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.404 -4.125 3 C5'-C4'-O4' 126.813 12.581 . 0.029 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' B' B ' 215' ' ' ' U' . . . . . 0.541 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.201 -21.012 2 C5'-C4'-O4' 144.413 25.152 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 020 nuclear nobuild full ' B' B ' 216' ' ' ' A' . . . . . 0.511 ' C6 ' ' C6 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.233 -18.371 2 C1'-O4'-C4' 119.894 11.438 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.576 ' C5 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.357 -7.98 3 C5'-C4'-O4' 130.425 15.161 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 020 nuclear nobuild full ' B' B ' 218' ' ' ' U' . . . . . 0.576 ' C4 ' ' C5 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.303 -12.46 3 C1'-O4'-C4' 119.267 10.741 . 0.063 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.467 ' C6 ' " H2'" ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.28 -14.419 2 C1'-O4'-C4' 119.601 11.112 . 0.041 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.402 3 C1'-O4'-C4' 116.911 8.123 . 0.31 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mtt . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.585 0.231 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 75.43 154.07 0.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 110.35 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 68.67 56.47 0.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.4 ' CA ' ' OP2' ' B' ' 203' ' ' ' A' . . . -61.0 -29.13 70.07 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.46 1.1 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -57.97 -19.66 32.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -60.25 -14.65 18.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 33.3 ptt-85 -60.91 -11.42 7.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.916 ' ND2' HG11 ' A' ' 13' ' ' VAL . 19.8 p-10 -56.3 -22.81 32.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.6 ' HA ' HG22 ' A' ' 13' ' ' VAL . 6.2 mm-40 -60.87 -11.47 7.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.432 ' O ' ' CZ ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -71.54 -3.99 24.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.477 ' CG ' ' O ' ' A' ' 11' ' ' LYS . 4.0 tttt -126.66 40.97 3.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.78 ' O ' HG23 ' A' ' 12' ' ' THR . 2.6 t 35.5 47.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.561 1.163 . . . . 0.0 110.41 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.916 HG11 ' ND2' ' A' ' 8' ' ' ASN . 8.8 m -38.76 154.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -107.39 138.92 42.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.401 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 42.4 t -77.1 112.66 13.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 108.309 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.476 ' CD2' ' C6 ' ' B' ' 212' ' ' ' G' . 7.8 m-85 -76.74 7.57 4.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -100.82 -58.43 1.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.428 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 25.0 p -94.68 -42.75 8.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.41 1.069 . . . . 0.0 108.293 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 106.22 27.86 5.44 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.58 140.21 46.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 0.782 . . . . 0.0 109.34 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.81 141.79 30.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.86 -11.35 7.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.583 1.177 . . . . 0.0 111.047 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 -164.73 156.43 15.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 0.0 109.58 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.741 HG21 HD21 ' A' ' 8' ' ' ASN . 20.4 pt -106.17 160.42 5.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.578 ' HB1' HH21 ' A' ' 32' ' ' ARG . . . -48.07 -35.7 11.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.176 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -59.97 -46.91 87.91 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -94.01 14.24 20.39 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.44 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 43.4 t -85.59 135.66 33.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.569 1.168 . . . . 0.0 108.31 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.82 -31.62 57.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.578 1.174 . . . . 0.0 110.26 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.64 155.09 31.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.108 . . . . 0.0 109.297 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 154.68 42.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.474 1.776 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.578 HH21 ' HB1' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -55.82 101.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.355 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -124.14 179.35 4.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.419 1.074 . . . . 0.0 109.362 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -145.34 51.77 1.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -95.9 124.76 8.15 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.552 1.157 . . . . 0.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.435 ' HA ' ' O6 ' ' B' ' 210' ' ' ' G' . 44.1 t -62.15 119.24 8.57 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.818 ' CZ2' ' C5 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -86.32 32.91 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 108.014 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -127.57 -47.29 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.237 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.542 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.5 p -109.24 -32.13 7.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 108.266 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.53 22.49 21.48 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.453 1.096 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.508 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -96.18 128.64 43.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.543 0.79 . . . . 0.0 109.343 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.432 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 1.7 pt-20 -88.83 117.21 27.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.589 1.181 . . . . 0.0 110.357 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.56 -50.32 0.66 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.463 1.102 . . . . 0.0 110.967 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.542 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 21.4 p-80 -100.66 -176.69 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 0.735 . . . . 0.0 109.647 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.578 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 3.1 pt20 -135.34 158.49 44.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.242 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.4 tmm? -52.11 -41.18 62.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.68 -33.38 60.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.382 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -124.86 39.86 3.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.466 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 33.7 t -56.56 112.0 1.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 108.354 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.0 t -74.43 -1.76 22.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.526 1.142 . . . . 0.0 110.44 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -144.28 58.33 1.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.411 1.069 . . . . 0.0 110.33 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -39.56 -56.85 1.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 110.35 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -161.76 158.54 25.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.92 105.3 0.18 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.135 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.324 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.396 -4.712 3 C5'-C4'-O4' 139.362 21.544 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 021 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.387 -5.532 2 C1'-O4'-C4' 118.012 9.347 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 2 . 1 . 021 nuclear nobuild full ' B' B ' 203' ' ' ' A' . . . . . 0.599 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.351 -8.463 2 C1'-O4'-C4' 118.619 10.022 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 021 nuclear nobuild full ' B' B ' 204' ' ' ' C' . . . . . 0.599 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.182 -22.574 2 C1'-O4'-C4' 121.506 13.229 . 0.615 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 021 nuclear nobuild full ' B' B ' 205' ' ' ' U' . . . . . 0.549 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.256 -16.375 2 C5'-C4'-O4' 136.776 19.697 OUTLIER-DELTA 0.066 1L . 0.0 . . . . . . . . . . 4 3 . 1 . 021 nuclear nobuild full ' B' B ' 206' ' ' ' A' . . . . . 0.543 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.264 -15.773 3 C5'-C4'-O4' 124.421 10.872 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 4 3 . 1 . 021 nuclear nobuild full ' B' B ' 207' ' ' ' G' . . . . . 0.543 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.219 -19.536 2 C5'-C4'-O4' 133.369 17.263 OUTLIER-DELTA 0.025 1L . 0.0 . . . . . . . . . . 4 3 . 1 . 021 nuclear nobuild full ' B' B ' 208' ' ' ' C' . . . . . 0.5 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.097 -29.665 2 C5'-C4'-O4' 134.734 18.238 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 021 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.626 ' N2 ' ' C6 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.245 -17.359 2 C1'-O4'-C4' 120.054 11.616 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 4 3 . 1 . 021 nuclear nobuild full ' B' B ' 210' ' ' ' G' . . . . . 0.89 " H4'" ' CE1' ' A' ' 16' ' ' PHE . . . . . . . . 1 O4'--C4' 1.377 -6.368 2 C5'-C4'-O4' 151.31 30.079 OUTLIER-DELTA 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 5 4 . 1 . 021 nuclear nobuild full ' B' B ' 211' ' ' ' A' . . . . . 0.669 " H4'" ' CE2' ' A' ' 16' ' ' PHE . . . . . . . . 1 O4'--C4' 1.401 -4.305 2 C5'-C4'-O4' 145.078 25.627 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 021 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . 0.543 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.126 -27.281 2 C1'-O4'-C4' 119.511 11.012 OUTLIER-DELTA 0.03 1e . 0.0 . . . . . . . . . . 4 3 . 1 . 021 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.626 ' C6 ' ' N2 ' ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.207 -20.488 2 C1'-O4'-C4' 120.004 11.56 . 0.233 9a . 0.0 . . . . . . . . . . 3 2 . 1 . 021 nuclear nobuild full ' B' B ' 214' ' ' ' C' . . . . . 0.58 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.34 -9.421 2 C5'-C4'-O4' 131.708 16.077 . 0.343 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 021 nuclear nobuild full ' B' B ' 215' ' ' ' U' . . . . . 0.503 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.17 -23.604 2 C5'-C4'-O4' 133.914 17.653 . 0.124 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 021 nuclear nobuild full ' B' B ' 216' ' ' ' A' . . . . . 0.47 " H2'" " O4'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.286 -13.896 2 O4'-C4'-C3' 97.026 -6.053 . 0.228 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 021 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.553 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.399 -4.49 3 C5'-C4'-O4' 127.491 13.065 OUTLIER-DELTA 0.01 1a . 0.0 . . . . . . . . . . 4 3 . 1 . 021 nuclear nobuild full ' B' B ' 218' ' ' ' U' . . . . . 0.553 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.299 -12.839 3 C1'-O4'-C4' 117.173 8.414 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 021 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.504 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.372 -6.745 3 O4'-C4'-C3' 94.275 -8.018 . 0.151 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 021 nuclear nobuild full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.366 -7.278 3 C5'-C4'-O4' 93.166 -11.453 . 0.046 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.432 0.158 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -82.29 -174.64 5.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 110.336 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.91 55.54 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.416 1.073 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.72 -15.28 40.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.481 ' CB ' ' OP2' ' B' ' 213' ' ' ' G' . 3.0 t30 -57.41 -27.49 62.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 0.789 . . . . 0.0 109.291 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.49 ' CZ ' ' OD1' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -57.99 -14.76 7.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.376 1.047 . . . . 0.0 110.961 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.513 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -58.98 -10.35 2.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.94 ' ND2' HG11 ' A' ' 13' ' ' VAL . 32.0 p-10 -57.01 -37.52 71.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.448 ' N ' ' OD1' ' A' ' 8' ' ' ASN . 11.2 mt-30 -59.25 -10.23 2.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.33 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.513 ' CG ' ' O ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -57.34 -16.31 8.56 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -180.0 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.502 ' O ' ' HB ' ' A' ' 12' ' ' THR . 4.9 ttpp -110.27 -84.68 0.56 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.815 ' O ' HG23 ' A' ' 12' ' ' THR . 1.4 t 179.26 46.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.94 HG11 ' ND2' ' A' ' 8' ' ' ASN . 11.1 m -40.24 154.99 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.88 138.78 39.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.2 t -76.8 111.66 12.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 108.3 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.89 ' CE1' " H4'" ' B' ' 210' ' ' ' G' . 4.8 m-85 -75.3 4.16 7.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -96.47 -63.28 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.2 p -87.41 -42.92 12.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 108.279 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.424 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 107.53 29.49 4.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.429 1.081 . . . . 0.0 111.01 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -98.01 -173.43 2.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 0.76 . . . . 0.0 109.294 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -133.35 116.7 16.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 145.0 -32.96 1.65 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 27.5 p-80 -134.17 161.63 34.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 0.0 109.606 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.696 HG21 HD21 ' A' ' 8' ' ' ASN . 8.9 pt -109.22 161.08 7.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.453 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -49.62 -38.08 30.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.479 ' HB2' HD11 ' A' ' 24' ' ' ILE . 3.5 mmtt -59.21 -43.75 92.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.49 ' OD1' ' CZ ' ' A' ' 6' ' ' PHE . 83.0 m-20 -95.43 10.01 37.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.363 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.453 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 44.9 t -83.87 128.98 34.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 108.305 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -69.8 -27.86 65.24 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.41 153.97 85.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 153.68 41.93 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.481 1.78 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.41 106.86 0.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.241 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -126.33 -176.47 3.67 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.493 1.12 . . . . 0.0 109.344 179.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.5 mtmm -147.55 53.16 1.05 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.155 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.42 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -99.41 129.18 9.81 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.429 ' HA ' ' O6 ' ' B' ' 210' ' ' ' G' . 23.2 t -63.65 118.02 7.66 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.829 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -84.58 37.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 108.006 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.424 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -130.42 -48.37 1.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.54 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 13.5 p -109.65 -31.84 7.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 108.327 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.46 22.66 18.46 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -96.1 130.33 43.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 0.734 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.42 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 13.8 pt-20 -89.77 123.19 33.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.19 -45.79 1.07 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 12.0 p-80 -104.94 174.76 5.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.585 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.594 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 2.1 pt20 -127.39 162.6 25.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.8 tmm? -50.57 -43.69 56.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -55.42 -36.78 66.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.63 30.85 7.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.507 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 33.5 t -50.23 112.17 0.64 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.43 1.081 . . . . 0.0 108.331 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.0 t -76.89 0.58 20.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 0.0 110.423 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -159.51 67.15 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.366 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -41.67 163.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.7 107.62 2.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -89.59 171.34 9.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 56.3 t30 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.225 -179.977 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.444 3 C5'-C4'-O4' 142.526 23.804 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 022 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . 0.503 " H2'" ' C8 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.324 -10.772 2 C1'-O4'-C4' 119.183 10.647 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 022 nuclear nobuild full ' B' B ' 203' ' ' ' A' . . . . . 0.682 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.36 -7.748 3 C1'-O4'-C4' 118.355 9.728 . 0.085 1m . 0.0 . . . . . . . . . . 3 2 . 1 . 022 nuclear nobuild full ' B' B ' 204' ' ' ' C' . . . . . 0.682 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.318 -11.288 3 C1'-O4'-C4' 119.24 10.711 . 0.374 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 022 nuclear nobuild full ' B' B ' 205' ' ' ' U' . . . . . 0.49 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.399 -4.498 3 O4'-C4'-C3' 93.185 -8.797 . 0.311 7a . 0.0 . . . . . . . . . . 3 2 . 1 . 022 nuclear nobuild full ' B' B ' 206' ' ' ' A' . . . . . 0.499 ' OP2' ' CZ ' ' A' ' 10' ' ' ARG . . . . . . . . 1 O4'--C4' 1.221 -19.298 2 C5'-C4'-O4' 132.88 16.914 OUTLIER-DELTA 0.072 1L . 0.0 . . . . . . . . . . 4 3 . 1 . 022 nuclear nobuild full ' B' B ' 207' ' ' ' G' . . . . . 0.498 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.265 -15.669 3 C5'-C4'-O4' 133.49 17.35 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 5 4 . 1 . 022 nuclear nobuild full ' B' B ' 208' ' ' ' C' . . . . . 0.509 " H2'" ' C8 ' ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.073 -31.661 2 C1'-O4'-C4' 123.579 15.532 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 022 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.509 ' C8 ' " H2'" ' B' ' 208' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.209 -20.316 2 C1'-O4'-C4' 119.821 11.356 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 022 nuclear nobuild full ' B' B ' 210' ' ' ' G' . . . . . 0.943 " H4'" ' CE1' ' A' ' 16' ' ' PHE . . . . . . . . 1 O4'--C4' 1.341 -9.335 2 C5'-C4'-O4' 149.695 28.925 OUTLIER-DELTA 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 5 4 . 1 . 022 nuclear nobuild full ' B' B ' 211' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.037 2 C5'-C4'-O4' 142.741 23.958 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 022 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . 0.572 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.099 -29.498 2 C1'-O4'-C4' 121.338 13.042 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 022 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.607 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.197 -21.317 2 C5'-C4'-O4' 139.553 21.681 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 3 . 1 . 022 nuclear nobuild full ' B' B ' 214' ' ' ' C' . . . . . 0.607 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.366 -7.265 2 C5'-C4'-O4' 130.938 15.527 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 022 nuclear nobuild full ' B' B ' 215' ' ' ' U' . . . . . 0.57 " H2'" ' C8 ' ' B' ' 216' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.083 -30.86 2 C5'-C4'-O4' 135.928 19.091 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 022 nuclear nobuild full ' B' B ' 216' ' ' ' A' . . . . . 0.702 ' C6 ' ' C6 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.308 -12.071 3 C5'-C4'-O4' 95.501 -9.785 . 0.239 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 022 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.702 ' C6 ' ' C6 ' ' B' ' 216' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.332 -10.074 3 C5'-C4'-O4' 128.36 13.686 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 022 nuclear nobuild full ' B' B ' 218' ' ' ' U' . . . . . 0.519 ' C4 ' ' C5 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.401 -4.306 3 O4'-C4'-C3' 93.395 -8.647 . 0.098 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 022 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.501 ' C6 ' " H2'" ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.314 -11.586 2 C5'-C4'-O4' 124.933 11.238 . 0.051 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 022 nuclear nobuild full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.425 2 C1'-O4'-C4' 117.857 9.174 . 0.161 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.569 0.224 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.68 43.2 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 110.288 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.3 mmtt 71.15 61.8 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.82 -14.83 24.74 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.639 1.212 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -55.31 -20.37 11.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 0.799 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.6 ' CE2' ' OD1' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -58.64 -14.27 7.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 111.048 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -11.65 4.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.928 ' ND2' HG11 ' A' ' 13' ' ' VAL . 20.6 p-10 -54.44 -19.38 5.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.377 1.048 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.476 ' HA ' HG22 ' A' ' 13' ' ' VAL . 35.4 mt-30 -63.34 -8.24 8.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.499 ' CZ ' ' OP2' ' B' ' 206' ' ' ' A' . 8.1 ptm180 -77.08 -4.26 43.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 12' ' ' THR . 19.8 ttpp -125.43 39.98 3.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.744 ' O ' HG23 ' A' ' 12' ' ' THR . 4.2 t 35.48 47.68 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.928 HG11 ' ND2' ' A' ' 8' ' ' ASN . 9.1 m -38.74 154.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.04 138.85 42.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.415 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 45.2 t -78.14 114.13 16.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 108.293 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.943 ' CE1' " H4'" ' B' ' 210' ' ' ' G' . 9.2 m-85 -79.12 9.57 4.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -103.66 -55.69 2.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.34 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.404 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 27.4 p -96.7 -41.88 8.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.421 1.076 . . . . 0.0 108.229 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.515 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 103.55 31.24 4.97 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 -179.931 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.94 140.14 48.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.736 . . . . 0.0 109.268 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -84.17 141.01 31.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.91 -25.96 4.87 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.439 1.087 . . . . 0.0 111.04 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.1 p-80 -149.71 157.67 43.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 0.736 . . . . 0.0 109.585 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.769 HG21 HD21 ' A' ' 8' ' ' ASN . 19.7 pt -105.48 161.75 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.48 ' HB1' HH21 ' A' ' 32' ' ' ARG . . . -48.31 -35.74 12.92 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -60.68 -46.38 90.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.6 ' OD1' ' CE2' ' A' ' 6' ' ' PHE . 80.7 m-20 -90.73 13.26 16.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.368 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.406 ' HB2' ' HA ' ' A' ' 25' ' ' ALA . 35.0 t -87.14 135.21 33.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 108.354 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -80.71 -24.73 38.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.137 . . . . 0.0 110.289 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.9 156.36 73.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 155.06 43.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.518 1.799 . . . . 0.0 111.041 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.48 HH21 ' HB1' ' A' ' 25' ' ' ALA . 5.0 mmp_? -57.85 104.92 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -130.7 -176.24 3.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -145.23 52.41 1.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.599 1.187 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.44 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -91.18 123.13 7.0 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.426 ' C ' ' H ' ' A' ' 38' ' ' LYS . 9.4 t -60.16 119.49 7.95 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.809 ' CZ2' ' C5 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -83.62 40.43 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 107.97 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.426 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -133.91 -49.05 0.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 0.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.533 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 12.7 p -109.97 -32.41 7.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 108.259 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.3 22.53 16.73 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.504 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 2.9 ttpt -95.37 129.05 42.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.367 0.686 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.44 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.8 OUTLIER -88.04 116.55 26.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 0.0 110.329 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 145.43 -51.17 0.61 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.533 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 23.2 p-80 -100.0 176.73 5.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 0.738 . . . . 0.0 109.631 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.599 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 0.8 OUTLIER -129.03 164.09 23.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 110.258 -179.969 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.429 ' HB3' ' N7 ' ' B' ' 210' ' ' ' G' . 9.4 tpt -52.57 -40.68 62.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -52.99 -30.87 37.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -129.07 42.47 3.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.424 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 41.5 t -58.34 111.49 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 108.282 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 51' ' ' GLU . 8.8 t -77.21 -4.79 46.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.084 . . . . 0.0 110.443 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 50' ' ' THR . 14.3 pt-20 35.82 65.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.432 ' HB2' HG23 ' A' ' 50' ' ' THR . 0.4 OUTLIER -120.58 -51.05 2.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.092 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 57.09 69.07 0.78 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 0.0 110.328 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.69 146.94 31.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.246 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.6 p30 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.958 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.442 3 C5'-C4'-O4' 141.469 23.049 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.372 -6.748 2 C1'-O4'-C4' 118.303 9.67 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear nobuild full ' B' B ' 203' ' ' ' A' . . . . . 0.648 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.228 -18.725 1 C1'-O4'-C4' 120.628 12.253 . 0.284 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear nobuild full ' B' B ' 204' ' ' ' C' . . . . . 0.648 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.292 -13.394 2 C1'-O4'-C4' 118.946 10.384 . 0.033 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear nobuild full ' B' B ' 205' ' ' ' U' . . . . . 0.529 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.401 -4.331 3 O4'-C4'-C3' 92.998 -8.93 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 023 nuclear nobuild full ' B' B ' 206' ' ' ' A' . . . . . 0.64 ' C8 ' ' NH2' ' A' ' 10' ' ' ARG . . . . . . . . 1 O4'--C4' 1.164 -24.11 2 C5'-C4'-O4' 132.016 16.297 . 0.139 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear nobuild full ' B' B ' 207' ' ' ' G' . . . . . 0.485 " H2'" ' C6 ' ' B' ' 208' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.34 -9.382 3 C5'-C4'-O4' 125.141 11.386 . 0.074 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear nobuild full ' B' B ' 208' ' ' ' C' . . . . . 0.485 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.252 -16.718 3 C1'-O4'-C4' 119.004 10.449 . 0.02 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.551 ' N2 ' ' C6 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.299 -12.792 3 C1'-O4'-C4' 117.417 8.685 . 0.214 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear nobuild full ' B' B ' 210' ' ' ' G' . . . . . 0.821 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.382 -5.95 2 C5'-C4'-O4' 152.124 30.66 OUTLIER-DELTA 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 5 4 . 1 . 023 nuclear nobuild full ' B' B ' 211' ' ' ' A' . . . . . 0.515 ' C2 ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 O4'--C4' 1.411 -3.539 3 C5'-C4'-O4' 146.055 26.325 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 023 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . 0.563 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.175 -23.171 1 C1'-O4'-C4' 115.639 6.71 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 023 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.551 ' C6 ' ' N2 ' ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.215 -19.832 2 C1'-O4'-C4' 119.157 10.619 . 0.158 9a . 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear nobuild full ' B' B ' 214' ' ' ' C' . . . . . 0.545 " H2'" ' C6 ' ' B' ' 215' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.401 -4.294 3 C1'-O4'-C4' 117.765 9.072 . 0.562 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear nobuild full ' B' B ' 215' ' ' ' U' . . . . . 0.545 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.17 -23.595 2 C1'-O4'-C4' 121.773 13.525 . 0.128 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear nobuild full ' B' B ' 216' ' ' ' A' . . . . . 0.476 " H2'" " O4'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.321 -11.027 3 O4'-C4'-C3' 95.645 -7.04 . 0.035 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.496 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.4 -4.434 3 C5'-C4'-O4' 129.507 14.505 OUTLIER-DELTA 0.01 1L . 0.0 . . . . . . . . . . 4 3 . 1 . 023 nuclear nobuild full ' B' B ' 218' ' ' ' U' . . . . . 0.499 ' C4 ' ' N4 ' ' B' ' 219' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.308 -12.048 2 C1'-O4'-C4' 117.988 9.32 . 0.01 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.499 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.364 -7.398 3 O4'-C4'-C3' 94.681 -7.728 . 0.364 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 023 nuclear nobuild full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.381 3 C1'-O4'-C4' 116.92 8.134 . 0.115 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.525 0.203 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -38.91 -49.48 1.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.228 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.3 tttt 77.32 64.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.41 -30.14 67.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.543 1.152 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.404 ' CB ' ' OP2' ' B' ' 213' ' ' ' G' . 4.0 t30 -60.7 -15.57 30.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.43 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 22.8 t80 -60.61 -16.58 39.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.039 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.486 ' HE ' ' NH1' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -61.05 -11.32 8.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.945 ' ND2' HG11 ' A' ' 13' ' ' VAL . 24.1 p-10 -56.96 -21.29 29.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.42 ' HA ' HG22 ' A' ' 13' ' ' VAL . 15.4 mt-30 -62.93 -10.12 12.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.348 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.64 ' NH2' ' C8 ' ' B' ' 206' ' ' ' A' . 12.9 ptt-85 -75.49 -2.35 28.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.259 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 12' ' ' THR . 11.4 tttp -128.73 38.78 3.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.704 ' O ' HG23 ' A' ' 12' ' ' THR . 5.5 t 35.77 48.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.945 HG11 ' ND2' ' A' ' 8' ' ' ASN . 8.7 m -37.57 154.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.91 143.47 36.48 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 44.3 t -80.87 115.91 20.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 108.215 -179.918 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.509 ' CE1' " H4'" ' B' ' 210' ' ' ' G' . 6.9 m-85 -81.75 13.07 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -107.91 -49.0 3.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.419 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 26.0 p -104.41 -40.8 5.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 108.288 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.536 ' HA3' ' CG ' ' A' ' 37' ' ' TRP . . . 102.9 29.61 5.77 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.543 1.152 . . . . 0.0 110.952 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HB2' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -108.71 139.89 42.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 0.0 109.235 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.65 132.81 34.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 136.94 -43.43 1.23 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.116 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.5 p-80 -130.02 159.74 35.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 0.751 . . . . 0.0 109.598 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.768 HG21 HD21 ' A' ' 8' ' ' ASN . 12.5 pt -107.37 157.97 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.229 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.515 ' HB3' ' C2 ' ' B' ' 211' ' ' ' A' . . . -48.73 -35.6 14.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.442 ' HB2' HD11 ' A' ' 24' ' ' ILE . 12.6 mmmt -59.3 -46.33 88.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -96.81 14.59 24.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.483 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 53.9 t -83.56 137.47 33.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 108.295 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.56 -35.08 60.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.18 156.0 8.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 149.67 36.9 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.525 1.802 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.72 105.22 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -143.96 -174.99 4.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.353 179.921 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 39.4 mttt -135.0 47.02 2.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.497 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -72.21 123.84 9.66 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.412 1.07 . . . . 0.0 110.967 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.48 ' C ' ' H ' ' A' ' 38' ' ' LYS . 15.9 t -61.64 124.04 19.57 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.821 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -81.66 36.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 108.019 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.48 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -134.73 -50.32 0.78 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.552 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 9.7 p -111.55 -31.83 6.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 108.279 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.67 18.73 24.62 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.548 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -91.38 120.31 32.13 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 179.937 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.497 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -81.27 111.25 17.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 152.51 -54.69 0.45 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.552 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 19.6 p-80 -94.9 -178.59 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 0.734 . . . . 0.0 109.608 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.552 ' HG2' ' C4 ' ' B' ' 210' ' ' ' G' . 51.9 mt-30 -125.77 154.08 43.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 110.255 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.4 tmm? -49.92 -41.14 45.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -39.69 80.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.1 29.89 7.24 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.502 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.4 t -43.87 113.16 0.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 108.285 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.2 t -85.77 4.89 34.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.383 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -143.84 74.78 1.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.95 153.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.257 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.432 ' HB2' ' CE ' ' A' ' 38' ' ' LYS . 0.6 OUTLIER -118.79 177.69 4.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 0.0 110.378 179.895 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 60.86 77.06 0.34 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.997 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.401 3 C5'-C4'-O4' 141.953 23.395 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.366 -7.263 2 C1'-O4'-C4' 118.363 9.737 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear nobuild full ' B' B ' 203' ' ' ' A' . . . . . 0.623 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.372 -6.728 3 C1'-O4'-C4' 118.068 9.409 . 0.151 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear nobuild full ' B' B ' 204' ' ' ' C' . . . . . 0.623 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.201 -20.963 2 C1'-O4'-C4' 121.15 12.833 . 0.233 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear nobuild full ' B' B ' 205' ' ' ' U' . . . . . 0.552 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.339 -9.463 2 C1'-O4'-C4' 116.475 7.638 . 0.27 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear nobuild full ' B' B ' 206' ' ' ' A' . . . . . 0.548 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.304 -12.409 3 C5'-C4'-O4' 124.422 10.873 . 0.292 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear nobuild full ' B' B ' 207' ' ' ' G' . . . . . 0.548 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.289 -13.666 3 C5'-C4'-O4' 123.313 10.081 . 0.041 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear nobuild full ' B' B ' 208' ' ' ' C' . . . . . 0.506 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.333 -9.998 3 C1'-O4'-C4' 116.666 7.851 . 0.144 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.63 ' N2 ' ' C6 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.382 -5.905 2 C5'-C4'-O4' 141.883 23.345 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 024 nuclear nobuild full ' B' B ' 210' ' ' ' G' . . . . . 0.809 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.137 -26.346 2 C5'-C4'-O4' 128.565 13.832 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 024 nuclear nobuild full ' B' B ' 211' ' ' ' A' . . . . . 0.542 " H1'" ' C8 ' ' B' ' 212' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.405 -3.975 2 C5'-C4'-O4' 144.54 25.243 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 024 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . 0.565 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.075 -31.515 1 C1'-O4'-C4' 123.494 15.437 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 5 4 . 1 . 024 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.63 ' C6 ' ' N2 ' ' B' ' 209' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.248 -17.124 2 C5'-C4'-O4' 124.508 10.934 . 0.01 0a . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear nobuild full ' B' B ' 214' ' ' ' C' . . . . . 0.595 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.403 -4.132 2 C1'-O4'-C4' 117.594 8.882 . 0.824 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear nobuild full ' B' B ' 215' ' ' ' U' . . . . . 0.573 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.18 -22.756 1 C1'-O4'-C4' 119.182 10.646 . 0.339 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear nobuild full ' B' B ' 216' ' ' ' A' . . . . . 0.534 " H2'" ' C8 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.386 -5.544 1 O4'-C4'-C3' 92.922 -8.984 . 0.092 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.554 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.4 -4.446 3 O4'-C4'-C3' 93.064 -8.883 . 0.011 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear nobuild full ' B' B ' 218' ' ' ' U' . . . . . 0.554 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.312 -11.779 3 C1'-O4'-C4' 117.261 8.512 . 0.29 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.512 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.395 -4.822 2 C1'-O4'-C4' 117.882 9.202 . 0.807 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 024 nuclear nobuild full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.395 -4.851 2 C1'-O4'-C4' 117.955 9.283 . 0.05 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 tpt . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.441 0.162 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.31 -26.99 43.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp 66.98 54.74 0.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.224 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.61 -24.66 57.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.447 1.092 . . . . 0.0 111.009 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -60.47 -15.58 28.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 0.781 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.518 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -59.95 -16.52 30.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 0.0 110.988 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.416 ' O ' ' HB3' ' A' ' 10' ' ' ARG . 1.5 ptm180 -60.58 -12.06 8.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.94 ' ND2' HG11 ' A' ' 13' ' ' VAL . 15.7 p-10 -56.88 -33.96 67.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.501 ' HA ' HG22 ' A' ' 13' ' ' VAL . 35.0 mt-30 -59.12 -11.38 3.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.248 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.442 ' CZ ' ' OP2' ' B' ' 206' ' ' ' A' . 0.0 OUTLIER -54.86 -18.34 4.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.931 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.473 ' O ' ' HB ' ' A' ' 12' ' ' THR . 15.3 ttpp -107.2 -84.52 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.799 ' O ' HG23 ' A' ' 12' ' ' THR . 1.3 t -179.93 45.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.94 HG11 ' ND2' ' A' ' 8' ' ' ASN . 13.4 m -42.23 154.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.79 144.33 33.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 23' ' ' HIS . 42.6 t -84.17 111.32 19.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 108.297 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.498 ' CD1' " O4'" ' B' ' 210' ' ' ' G' . 11.0 m-85 -77.48 6.76 6.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -98.98 -54.29 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.24 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.44 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 26.3 p -99.05 -45.06 6.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 108.313 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.97 29.9 3.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -111.3 141.62 44.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -86.69 139.12 31.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.16 -29.97 3.59 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.456 1.098 . . . . 0.0 111.002 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.405 ' O ' ' HB2' ' A' ' 15' ' ' CYS . 22.6 p-80 -145.21 158.53 43.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 0.78 . . . . 0.0 109.629 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.688 HG21 HD21 ' A' ' 8' ' ' ASN . 12.5 pt -107.05 161.87 5.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.42 1.075 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.724 ' HB1' HH21 ' A' ' 32' ' ' ARG . . . -48.5 -35.67 13.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.505 ' HB2' HD11 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -59.72 -46.3 89.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -95.44 16.0 18.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.439 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 42.2 t -87.43 137.51 32.28 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.447 1.092 . . . . 0.0 108.324 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.59 -32.75 58.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.45 156.82 20.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 151.04 39.03 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.724 HH21 ' HB1' ' A' ' 25' ' ' ALA . 9.6 mmp_? -57.0 103.22 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.342 179.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -134.81 -175.41 3.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.607 1.192 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.42 51.68 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.205 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.476 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -87.38 121.46 5.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.476 1.11 . . . . 0.0 111.05 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.428 ' C ' ' H ' ' A' ' 38' ' ' LYS . 18.1 t -58.67 120.45 8.95 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.809 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -84.61 38.04 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.9 OUTLIER -132.65 -49.59 0.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.531 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.6 p -109.72 -31.28 7.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 108.227 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.07 21.48 22.86 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.468 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -96.12 126.54 41.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 0.786 . . . . 0.0 109.323 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.476 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 12.9 pt-20 -85.98 123.65 31.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 139.16 -47.95 0.89 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.531 ' CE1' ' SG ' ' A' ' 39' ' ' CYS . 18.7 p-80 -103.15 177.59 4.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.566 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.567 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 1.2 pt20 -126.67 161.3 28.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.9 ttp -50.8 -40.98 56.79 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.574 1.171 . . . . 0.0 110.998 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -56.83 -38.15 72.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.381 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.47 33.36 5.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.368 179.897 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.489 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 34.1 t -50.64 112.01 0.63 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.079 . . . . 0.0 108.311 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.8 p -78.24 2.13 19.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 110.374 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -122.74 -96.75 0.46 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.429 1.08 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.32 102.32 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.589 1.18 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.53 148.49 2.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.393 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.65 147.66 25.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.1 p30 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.288 179.979 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 201' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.348 -8.764 3 C1'-O4'-C4' 118.685 10.094 . 0.0 '__' . 0.0 . . . . . . . . . . 2 1 . 1 . 025 nuclear nobuild full ' B' B ' 202' ' ' ' G' . . . . . 0.4 " O3'" ' OE1' ' A' ' 2' ' ' GLN . . . . . . . . 1 O4'--C4' 1.362 -7.61 2 C1'-O4'-C4' 118.407 9.786 . 0.525 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 025 nuclear nobuild full ' B' B ' 203' ' ' ' A' . . . . . 0.623 ' C5 ' ' C4 ' ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.313 -11.708 3 C1'-O4'-C4' 118.884 10.316 . 0.18 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 025 nuclear nobuild full ' B' B ' 204' ' ' ' C' . . . . . 0.623 ' C4 ' ' C5 ' ' B' ' 203' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.356 -8.064 2 C1'-O4'-C4' 117.941 9.267 . 0.351 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 025 nuclear nobuild full ' B' B ' 205' ' ' ' U' . . . . . 0.514 ' C6 ' " H2'" ' B' ' 204' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.329 -10.358 2 C1'-O4'-C4' 118.6 10.001 . 0.259 7a . 0.0 . . . . . . . . . . 3 2 . 1 . 025 nuclear nobuild full ' B' B ' 206' ' ' ' A' . . . . . 0.54 ' C6 ' ' C6 ' ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.2 -21.087 2 C5'-C4'-O4' 128.148 13.534 . 0.124 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 025 nuclear nobuild full ' B' B ' 207' ' ' ' G' . . . . . 0.54 ' C6 ' ' C6 ' ' B' ' 206' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.28 -14.452 3 C5'-C4'-O4' 129.545 14.532 . 0.015 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 025 nuclear nobuild full ' B' B ' 208' ' ' ' C' . . . . . 0.483 ' C6 ' " H2'" ' B' ' 207' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.315 -11.53 3 C1'-O4'-C4' 117.905 9.227 . 0.01 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 025 nuclear nobuild full ' B' B ' 209' ' ' ' G' . . . . . 0.48 ' N2 ' ' C6 ' ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.402 -4.287 2 C5'-C4'-O4' 141.947 23.391 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 025 nuclear nobuild full ' B' B ' 210' ' ' ' G' . . . . . 0.818 ' C4 ' ' CZ2' ' A' ' 37' ' ' TRP . . . . . . . . 1 O4'--C4' 1.174 -23.24 2 C5'-C4'-O4' 133.8 17.572 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 025 nuclear nobuild full ' B' B ' 211' ' ' ' A' . . . . . 0.48 ' C2 ' ' HB3' ' A' ' 25' ' ' ALA . . . . . . . . 0 O4'--C4' 1.408 -3.769 2 C5'-C4'-O4' 140.681 22.486 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 025 nuclear nobuild full ' B' B ' 212' ' ' ' G' . . . . . 0.589 ' C6 ' ' HB ' ' A' ' 24' ' ' ILE . . . . . . . . 1 O4'--C4' 1.085 -30.655 1 C1'-O4'-C4' 122.326 14.14 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 025 nuclear nobuild full ' B' B ' 213' ' ' ' G' . . . . . 0.579 " H2'" ' C6 ' ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.297 -12.967 2 C1'-O4'-C4' 117.81 9.122 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 5 4 . 1 . 025 nuclear nobuild full ' B' B ' 214' ' ' ' C' . . . . . 0.579 ' C6 ' " H2'" ' B' ' 213' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.352 -8.423 2 C1'-O4'-C4' 118.615 10.016 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 025 nuclear nobuild full ' B' B ' 215' ' ' ' U' . . . . . 0.579 ' C6 ' " H2'" ' B' ' 214' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.144 -25.735 1 C1'-O4'-C4' 120.498 12.109 . 0.298 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 025 nuclear nobuild full ' B' B ' 216' ' ' ' A' . . . . . 0.5 ' C6 ' ' C6 ' ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.356 -8.078 2 O4'-C4'-C3' 94.252 -8.034 . 0.155 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 025 nuclear nobuild full ' B' B ' 217' ' ' ' G' . . . . . 0.527 " H2'" ' C6 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.402 -4.253 3 C5'-C4'-O4' 122.979 9.842 . 0.068 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 025 nuclear nobuild full ' B' B ' 218' ' ' ' U' . . . . . 0.527 ' C6 ' " H2'" ' B' ' 217' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.32 -11.095 3 C5'-C4'-O4' 127.249 12.892 . 0.063 1L . 0.0 . . . . . . . . . . 3 2 . 1 . 025 nuclear nobuild full ' B' B ' 219' ' ' ' C' . . . . . 0.506 ' N4 ' ' C4 ' ' B' ' 218' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.376 -6.432 2 C1'-O4'-C4' 118.198 9.554 . 0.269 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 025 nuclear nobuild full ' B' B ' 220' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.399 -4.537 2 C1'-O4'-C4' 117.857 9.175 . 0.11 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.448 0.166 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.4 ' OE1' " O3'" ' B' ' 202' ' ' ' G' . 33.2 mt-30 -77.06 -66.7 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 77.32 64.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.352 -179.913 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.481 ' O ' ' CZ ' ' A' ' 7' ' ' ARG . . . -58.55 -29.58 64.04 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -59.64 -17.52 34.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 109.293 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -60.85 -15.83 34.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.481 ' CZ ' ' O ' ' A' ' 4' ' ' GLY . 16.0 mtm105 -59.41 -14.73 13.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.916 ' ND2' HG11 ' A' ' 13' ' ' VAL . 15.2 p-10 -55.78 -18.87 9.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 109.323 179.926 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.545 ' HA ' HG22 ' A' ' 13' ' ' VAL . 4.6 mm-40 -61.03 -12.06 10.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.229 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.458 ' NE ' ' OP2' ' B' ' 206' ' ' ' A' . 6.5 ptm180 -67.57 -8.23 32.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 12' ' ' THR . 6.7 ttpt -126.1 39.27 3.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.413 1.07 . . . . 0.0 109.328 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.756 ' O ' HG23 ' A' ' 12' ' ' THR . 4.8 t 36.33 49.1 0.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.385 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.916 HG11 ' ND2' ' A' ' 8' ' ' ASN . 7.8 m -37.32 154.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.67 136.62 47.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 44.7 t -75.06 109.37 8.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 108.285 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.589 ' CD1' " O4'" ' B' ' 210' ' ' ' G' . 11.6 m-85 -73.56 4.17 5.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -95.33 -64.48 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.489 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 27.0 p -89.54 -42.99 11.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 108.305 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 107.57 28.63 4.75 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.127 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.72 138.35 47.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.73 138.23 32.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.1 -1.99 8.38 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 22.9 p-80 -170.36 157.72 6.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 0.779 . . . . 0.0 109.601 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.762 HG21 HD21 ' A' ' 8' ' ' ASN . 13.8 pt -109.74 160.76 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.412 1.07 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.48 ' HB3' ' C2 ' ' B' ' 211' ' ' ' A' . . . -49.27 -36.85 21.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.408 ' HB2' HD11 ' A' ' 24' ' ' ILE . 4.7 mmmt -59.33 -44.77 92.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -97.25 13.27 30.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.214 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.48 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 52.6 t -84.0 131.92 34.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 108.261 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -33.52 73.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.46 157.0 38.53 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 149.92 36.93 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.802 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.9 mmm-85 -56.36 109.81 0.67 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 110.352 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -140.97 -176.04 4.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 109.34 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -142.17 50.71 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.459 ' HA2' ' HA ' ' A' ' 42' ' ' GLU . . . -87.06 119.95 5.36 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.444 ' C ' ' H ' ' A' ' 38' ' ' LYS . 34.6 t -58.02 120.73 9.07 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.818 ' CZ2' ' C4 ' ' B' ' 210' ' ' ' G' . 0.0 OUTLIER -84.43 35.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.97 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -131.15 -49.05 1.01 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.24 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.557 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 11.4 p -110.24 -31.84 7.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 108.265 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.25 21.26 25.42 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.448 1.093 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -92.31 120.44 32.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 109.331 179.942 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.459 ' HA ' ' HA2' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -81.05 113.76 19.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 110.343 179.996 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.21 -52.33 0.54 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 17.0 p-80 -98.27 179.58 4.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 109.613 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.573 ' HB2' ' C5 ' ' B' ' 210' ' ' ' G' . 1.0 OUTLIER -128.24 161.31 29.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.9 tpt -52.36 -45.63 65.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -31.28 59.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -121.75 37.26 4.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.497 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 33.6 t -50.34 112.27 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 108.219 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 40.0 p -77.48 1.24 19.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.415 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -169.32 88.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' A' ' 52' ' ' ARG . 5.5 ptt180 -73.35 106.57 5.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.107 . . . . 0.0 110.264 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.434 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.5 OUTLIER 176.07 158.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.225 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 53' ' ' GLN . . . 67.98 175.17 0.27 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 t30 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.997 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_