data_1wj5_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 1wj5 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.523 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 0.2 OUTLIER -164.03 154.87 15.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.446 ' O ' ' CB ' ' A' ' 18' ' ' THR . 0.8 OUTLIER -40.85 -40.71 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.21 -46.33 20.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.09 -52.18 50.91 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.451 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -66.21 -39.15 89.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.302 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.477 ' OG1' ' CG1' ' A' ' 79' ' ' VAL . 1.5 m -57.97 -57.43 12.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.416 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 18' ' ' THR . 1.8 t -37.83 -38.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.967 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.7 tp -71.08 -54.68 10.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.475 ' HA ' ' CD2' ' A' ' 51' ' ' LEU . 11.5 tp -41.56 -43.68 2.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.499 ' OG ' ' CD2' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -46.54 -56.7 5.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.22 -32.23 72.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.516 ' HB3' ' CD2' ' A' ' 48' ' ' LEU . 24.0 mmtt -62.4 -33.25 74.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 109.277 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.467 HD11 ' CD1' ' A' ' 21' ' ' LEU . 1.8 mp -78.21 -49.46 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.521 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -53.17 -38.59 62.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.521 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 2.0 mm-40 -68.14 -40.75 82.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 110.347 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.588 ' CE2' ' HG3' ' A' ' 32' ' ' LYS . 67.4 t80 -56.56 -39.55 73.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 111.02 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.59 HD21 ' CE1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -59.63 -48.8 80.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -66.72 -13.98 62.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -89.19 -43.76 10.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.267 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.588 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 56.0 mmtt -84.21 -14.43 50.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt 57.84 63.82 1.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.461 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -126.23 163.58 22.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 111.006 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -119.58 6.51 11.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 p -166.45 148.14 6.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.992 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.59 ' CE1' HD21 ' A' ' 29' ' ' LEU . 36.3 p90 -175.76 -176.67 0.87 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.578 ' CE2' HD23 ' A' ' 103' ' ' LEU . 46.4 m-85 -128.3 146.65 50.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 111.053 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.42 ' CG ' ' HB3' ' A' ' 80' ' ' PHE . 3.3 tt0 -52.89 -41.87 64.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -60.74 -39.67 89.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.153 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -59.32 -23.78 62.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.327 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.497 HD11 ' CE2' ' A' ' 37' ' ' PHE . 9.3 mt -93.2 -21.9 19.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 1.4 mt-10 -62.95 -17.72 62.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.2 p -91.04 -9.73 44.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.453 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.508 ' CG2' ' CE1' ' A' ' 28' ' ' PHE . 95.0 t -81.25 94.69 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -43.44 -53.34 5.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.7 m -44.62 -32.0 1.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.516 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 29.7 mt -86.06 -58.33 2.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.0 mt-30 -45.2 -43.84 10.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.41 -24.74 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.475 ' CD2' ' HA ' ' A' ' 21' ' ' LEU . 3.4 tp -99.04 -47.41 5.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.517 ' CB ' ' CE2' ' A' ' 80' ' ' PHE . . . -66.55 -6.08 13.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 49' ' ' GLN . 39.7 t -113.73 -16.65 12.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.424 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -44.95 158.91 0.27 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.25 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.479 ' C ' ' CG2' ' A' ' 56' ' ' VAL . 18.5 Cg_endo -74.94 169.82 21.77 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.523 ' CG1' ' HA ' ' A' ' 13' ' ' ASP . 1.8 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.487 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 55.0 t -41.42 -46.3 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.54 -44.01 93.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.487 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 6.2 mt-30 -52.63 -23.98 7.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.463 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -85.17 -34.38 22.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.477 ' CG1' ' OG1' ' A' ' 18' ' ' THR . 40.3 t -77.16 -36.32 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.517 ' CE2' ' CB ' ' A' ' 52' ' ' ALA . 2.1 m-85 -70.4 -56.56 6.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 82' ' ' ASN . 0.1 OUTLIER -51.84 -39.53 59.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 78' ' ' ARG . 94.9 m-20 -70.03 -42.61 72.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -49.0 -53.6 19.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.153 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.522 ' HB3' ' CE1' ' A' ' 104' ' ' TYR . 3.7 mm? -55.08 -50.72 68.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -46.19 -58.15 3.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 89' ' ' GLU . 1.5 mt -46.89 -50.65 18.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.499 ' CD2' ' OG ' ' A' ' 22' ' ' SER . 91.5 mt -50.32 -43.34 53.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.423 ' NE2' ' HG3' ' A' ' 95' ' ' GLN . 68.4 mt-30 -66.36 -19.16 65.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -88.92 -24.16 22.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -90.92 -29.04 17.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.02 14.31 23.08 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.476 ' CD2' ' HD2' ' A' ' 26' ' ' LYS . 4.1 mt -76.09 -44.22 39.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 0.732 . . . . 0.0 109.358 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.3 m -128.56 173.04 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.581 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 10.5 p90 -161.97 148.67 13.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.482 ' OE1' ' CB ' ' A' ' 102' ' ' LYS . 3.2 mt-30 -122.84 121.91 37.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.258 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.4 mtp-105 -81.19 -46.63 14.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.147 . . . . 0.0 110.322 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -96.72 115.81 28.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.22 156.32 15.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.976 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 132.11 124.7 2.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.8 p -44.04 -51.85 7.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 110.028 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -87.61 75.35 9.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.482 ' CB ' ' OE1' ' A' ' 95' ' ' GLN . 13.1 mmtt -132.46 159.04 40.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.578 HD23 ' CE2' ' A' ' 38' ' ' TYR . 1.3 tm? -72.73 134.0 44.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.522 ' CE1' ' HB3' ' A' ' 84' ' ' LEU . 33.5 m-85 -98.45 108.83 21.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 94' ' ' PHE . 21.3 m-30 -83.2 117.36 22.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.4 p -87.23 151.87 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 11.9 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.41 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.538 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 9.9 t0 -163.13 158.76 22.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.17 . . . . 0.0 109.255 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.434 ' N ' ' CG1' ' A' ' 56' ' ' VAL . 1.0 OUTLIER -40.09 -45.23 1.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.73 -54.16 12.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.99 -53.28 27.5 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.441 1.088 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.494 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -63.02 -39.17 93.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 0.78 . . . . 0.0 109.315 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.467 ' OG1' ' CG1' ' A' ' 79' ' ' VAL . 1.6 m -58.54 -54.94 41.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.405 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 18' ' ' THR . 5.3 t -36.9 -39.72 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.026 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 tp -67.3 -55.45 13.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.331 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.454 ' CD1' HD12 ' A' ' 25' ' ' ILE . 4.4 tp -41.71 -48.87 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.426 ' OG ' ' CD2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -42.58 -60.63 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.003 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.7 -36.7 74.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.523 ' HB3' ' CD2' ' A' ' 48' ' ' LEU . 46.3 mmtt -59.4 -33.52 71.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.461 HG21 ' CD1' ' A' ' 87' ' ' LEU . 1.5 mp -76.19 -53.8 14.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.523 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -47.74 -37.9 14.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.523 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 3.3 mm-40 -68.68 -42.13 78.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.578 ' CE2' ' HG3' ' A' ' 32' ' ' LYS . 71.0 t80 -55.55 -40.76 72.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 111.032 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.587 HD22 ' CZ ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -59.1 -46.33 88.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -66.84 -17.0 64.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -87.39 -46.56 9.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.578 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 42.6 mmtt -81.57 -14.87 56.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER 55.94 64.27 1.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.476 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -127.0 153.81 45.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.148 . . . . 0.0 111.024 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -111.27 9.62 21.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.8 p -167.18 134.07 2.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.587 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 34.7 p90 -163.3 170.71 17.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.967 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.595 ' CE2' ' CD1' ' A' ' 103' ' ' LEU . 25.6 m-85 -117.93 145.67 44.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.946 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.484 ' CG ' ' HB3' ' A' ' 80' ' ' PHE . 2.6 tt0 -52.15 -43.28 63.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -61.54 -37.36 83.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.1 -24.0 67.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.558 HD11 ' CE1' ' A' ' 37' ' ' PHE . 11.4 mt -89.4 -23.22 22.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.523 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 38.0 mt-10 -59.13 -32.26 69.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.259 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.2 p -71.72 -12.52 61.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.407 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.553 HG21 ' CE1' ' A' ' 28' ' ' PHE . 33.4 t -77.35 92.25 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.85 -58.34 2.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.8 m -39.26 -41.68 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.035 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.523 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 75.0 mt -73.83 -54.76 7.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.523 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 2.0 mm-40 -45.29 -43.37 10.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -48.09 -24.96 1.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.428 ' CD2' ' HA ' ' A' ' 21' ' ' LEU . 2.8 tp -98.37 -46.45 5.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.435 ' CB ' ' CE2' ' A' ' 80' ' ' PHE . . . -66.66 -5.75 12.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 49' ' ' GLN . 42.5 t -114.67 -15.52 11.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.963 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -47.32 158.34 0.48 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.454 ' C ' ' CG2' ' A' ' 56' ' ' VAL . 18.3 Cg_endo -75.01 167.83 26.17 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.474 1.776 . . . . 0.0 110.963 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.538 ' CG1' ' HA ' ' A' ' 13' ' ' ASP . 1.8 t . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.502 ' O ' ' CZ ' ' A' ' 78' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.442 ' CG1' ' N ' ' A' ' 76' ' ' ALA . 13.7 p -61.77 -55.82 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 0.729 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.442 ' N ' ' CG1' ' A' ' 75' ' ' VAL . . . -52.21 -30.55 27.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.435 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 10.3 mt-30 -65.93 -18.04 65.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.502 ' CZ ' ' O ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -91.68 -30.83 16.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 110.285 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.467 ' CG1' ' OG1' ' A' ' 18' ' ' THR . 22.4 t -80.82 -36.03 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.484 ' HB3' ' CG ' ' A' ' 39' ' ' GLN . 1.7 m-85 -70.61 -55.61 8.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -52.65 -39.3 61.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.432 ' N ' ' HG3' ' A' ' 81' ' ' LYS . 80.8 m-20 -70.27 -42.22 72.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.424 ' HB3' ' N ' ' A' ' 22' ' ' SER . . . -49.21 -51.94 29.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.554 ' HB3' ' CE1' ' A' ' 104' ' ' TYR . 3.8 mm? -56.42 -51.41 68.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.71 -56.45 5.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 89' ' ' GLU . 1.6 mt -49.2 -50.85 36.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.478 HD21 ' CD1' ' A' ' 92' ' ' LEU . 86.6 mt -49.71 -44.95 48.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.499 ' HG2' ' CG2' ' A' ' 93' ' ' VAL . 0.1 OUTLIER -65.28 -21.24 66.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.292 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 86' ' ' LEU . 0.8 OUTLIER -86.07 -24.55 26.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.57 -29.63 16.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.39 13.5 24.38 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.496 1.122 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.478 ' CD1' HD21 ' A' ' 87' ' ' LEU . 6.4 mt -75.0 -38.4 61.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.499 ' CG2' ' HG2' ' A' ' 88' ' ' GLN . 4.3 m -137.85 175.0 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 105' ' ' TYR . 39.7 p90 -162.64 152.85 16.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -122.3 133.2 54.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.514 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -108.57 84.58 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.266 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 3.6 m-20 155.63 -24.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.9 t 63.66 147.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.009 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 131.22 178.26 15.36 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.8 p -93.64 -36.52 12.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.764 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.68 62.49 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -133.69 158.38 43.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.595 ' CD1' ' CE2' ' A' ' 38' ' ' TYR . 5.5 tt -77.42 153.42 33.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.554 ' CE1' ' HB3' ' A' ' 84' ' ' LEU . 42.8 m-85 -113.04 113.11 24.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.577 ' HB2' ' CE1' ' A' ' 94' ' ' PHE . 43.4 m-85 -88.89 137.89 31.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -83.89 163.98 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.398 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mt . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.466 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 0.6 OUTLIER -170.24 150.97 3.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.451 ' N ' HG23 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -36.48 -42.45 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.02 -51.33 22.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.242 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -57.46 -58.38 14.9 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.122 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.697 ' CD1' ' CD2' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -56.12 -31.72 63.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 0.767 . . . . 0.0 109.328 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.472 ' OG1' ' CG1' ' A' ' 79' ' ' VAL . 1.3 m -67.56 -56.46 9.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.392 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 18' ' ' THR . 32.1 t -36.8 -33.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.029 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 18' ' ' THR . 3.0 tp -76.02 -56.19 4.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.49 HD22 ' CB ' ' A' ' 52' ' ' ALA . 27.6 tp -42.16 -48.63 4.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.405 ' C ' HD22 ' A' ' 87' ' ' LEU . 1.4 p -39.44 -52.54 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 1.5 mt-10 -62.69 -38.48 90.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.49 ' HG3' ' CD1' ' A' ' 51' ' ' LEU . 2.7 mmtt -57.67 -41.98 82.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.466 ' CD1' ' HG ' ' A' ' 21' ' ' LEU . 6.3 mt -74.0 -43.6 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.491 ' HD2' ' CD2' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -61.54 -37.53 84.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 1.8 mm-40 -69.62 -30.14 67.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.346 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.6 ' CE1' ' CE ' ' A' ' 32' ' ' LYS . 79.1 t80 -68.41 -43.53 77.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 111.048 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.456 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -54.6 -57.36 11.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -65.95 -11.61 48.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.33 -38.35 13.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.6 ' CE ' ' CE1' ' A' ' 28' ' ' PHE . 68.1 mmtt -88.49 -12.45 42.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 mptt 58.06 59.34 3.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.471 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -119.2 170.15 9.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -126.03 4.82 7.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 p -167.04 153.33 8.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.15 . . . . 0.0 110.009 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.585 ' CE1' ' CD1' ' A' ' 42' ' ' LEU . 11.2 p90 -178.2 170.73 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 59.3 m-85 -116.57 153.01 32.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.952 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -59.15 -23.84 62.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.348 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.483 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 6.0 pt20 -78.01 -45.12 24.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.483 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 9.2 mm-40 -55.4 -20.14 11.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.311 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.585 ' CD1' ' CE1' ' A' ' 37' ' ' PHE . 12.0 mt -98.36 -20.24 17.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.491 ' HA ' ' CZ ' ' A' ' 80' ' ' PHE . 0.9 OUTLIER -68.62 -9.43 49.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.3 p -100.91 -3.8 28.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.423 ' CG1' ' HG ' ' A' ' 48' ' ' LEU . 69.1 t -89.03 105.56 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 48' ' ' LEU . 1.9 mt-10 -48.94 -58.32 5.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 46' ' ' GLU . 29.9 m -38.09 -31.7 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.976 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.48 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 41.9 mt -87.29 -60.44 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.568 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.1 mt-30 -46.68 -47.4 20.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 110.302 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.79 -22.26 2.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 110.027 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.697 ' CD2' ' CD1' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -98.95 -54.62 2.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.49 ' CB ' HD22 ' A' ' 21' ' ' LEU . . . -65.34 -6.72 10.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.568 ' N ' ' O ' ' A' ' 49' ' ' GLN . 19.4 m -106.87 -18.01 14.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.013 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.506 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -44.98 158.35 0.29 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 110.256 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.461 ' O ' ' CB ' ' A' ' 56' ' ' VAL . 18.1 Cg_endo -75.02 168.12 25.53 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.472 1.775 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.466 ' CG2' ' HA ' ' A' ' 13' ' ' ASP . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.497 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.492 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 14.8 p -40.89 -54.69 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.415 ' N ' ' CG1' ' A' ' 75' ' ' VAL . . . -49.34 -43.04 43.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 4.7 mt-30 -59.12 -22.83 61.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.492 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -87.23 -30.82 20.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.472 ' CG1' ' OG1' ' A' ' 18' ' ' THR . 21.5 t -79.94 -37.61 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.491 ' CZ ' ' HA ' ' A' ' 43' ' ' GLU . 2.1 m-85 -62.0 -57.65 10.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -43.08 73.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 78' ' ' ARG . 88.1 m-20 -63.51 -37.66 88.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.422 ' HB1' ' CD1' ' A' ' 25' ' ' ILE . . . -57.99 -57.47 12.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.488 HD11 ' N ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -54.34 -54.23 43.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.341 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -36.16 -56.52 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.252 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.59 -47.78 78.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 84' ' ' LEU . 90.6 mt -50.18 -41.35 49.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.426 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 0.0 OUTLIER -67.18 -25.97 66.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.67 -23.3 42.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.19 -29.4 16.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.5 25.06 7.92 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.491 ' CD2' ' HD2' ' A' ' 26' ' ' LYS . 2.7 mt -86.51 -35.4 19.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 88' ' ' GLN . 2.4 m -144.75 176.14 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 5.7 p90 -163.75 157.67 19.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 111.0 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -127.28 118.14 23.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 50.2 mtp85 -72.29 -57.39 4.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.65 -20.18 45.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.73 17.66 3.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.976 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -89.62 149.4 20.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.73 -57.13 13.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 0.738 . . . . 0.0 109.974 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -95.34 74.47 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -134.2 -179.59 5.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.588 1.18 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.581 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . 1.4 tm? -85.55 130.71 34.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.448 ' N ' HD13 ' A' ' 103' ' ' LEU . 24.5 m-85 -96.01 120.53 36.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 111.032 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.578 ' CE1' HD12 ' A' ' 103' ' ' LEU . 20.0 m-85 -93.31 123.27 36.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.4 p -92.16 150.63 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.454 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.454 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 0.5 OUTLIER -167.88 152.39 6.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.47 ' O ' ' CB ' ' A' ' 18' ' ' THR . 0.1 OUTLIER -38.03 -43.59 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.69 -55.08 14.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.62 -60.78 8.28 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.705 ' CD1' ' CD2' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -51.81 -37.01 49.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 0.791 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.47 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 1.8 m -64.19 -55.01 24.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.423 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 18' ' ' THR . 12.2 t -38.37 -43.86 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -65.36 -57.0 9.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.514 ' CD2' ' CB ' ' A' ' 52' ' ' ALA . 33.2 tp -41.43 -49.41 3.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.417 ' O ' HD21 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -42.56 -49.14 5.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.03 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -64.85 -33.9 77.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.497 ' HB3' ' CD2' ' A' ' 48' ' ' LEU . 3.3 mmtt -62.17 -37.84 86.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.487 ' CD1' ' HG ' ' A' ' 21' ' ' LEU . 1.9 mp -72.9 -52.77 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.52 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -50.96 -37.9 47.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.52 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 1.9 mm-40 -67.17 -42.43 84.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.344 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.567 ' CE2' HD21 ' A' ' 42' ' ' LEU . 62.9 t80 -54.78 -33.09 60.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 111.06 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.476 HD13 ' CG1' ' A' ' 106' ' ' VAL . 9.0 mt -69.89 -48.61 57.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -63.8 -10.78 21.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -94.24 -49.41 5.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.132 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.542 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 22.9 mmtp -80.54 -14.38 58.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 29' ' ' LEU . 4.5 mptt 56.09 64.83 1.6 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.42 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -120.28 160.0 23.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -116.45 7.73 13.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.407 ' HB2' HD12 ' A' ' 103' ' ' LEU . 1.9 p -167.43 146.68 5.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.568 ' CE1' HD12 ' A' ' 42' ' ' LEU . 26.0 p90 -175.87 175.49 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.593 ' CE2' ' CD2' ' A' ' 103' ' ' LEU . 36.5 m-85 -120.16 151.65 38.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.476 ' CG ' ' HB3' ' A' ' 80' ' ' PHE . 1.4 tt0 -60.01 -38.42 82.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.457 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 8.5 pt20 -64.25 -43.84 93.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.457 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 13.9 mm-40 -55.72 -18.12 7.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 110.338 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.568 HD12 ' CE1' ' A' ' 37' ' ' PHE . 9.0 mt -96.79 -24.11 16.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.083 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.508 ' HG2' ' CD2' ' A' ' 80' ' ' PHE . 0.6 OUTLIER -60.44 -18.54 51.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.333 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.2 p -86.48 -12.18 49.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.379 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.469 ' CG1' ' HG ' ' A' ' 48' ' ' LEU . 36.3 t -78.44 119.34 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 48' ' ' LEU . 6.3 mm-40 -61.61 -63.13 1.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.3 m -39.78 -29.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.497 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 69.4 mt -83.39 -60.24 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.539 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.0 mt-30 -46.87 -46.39 21.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.37 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.94 -22.94 2.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.974 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.705 ' CD2' ' CD1' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -98.65 -55.57 2.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.514 ' CB ' ' CD2' ' A' ' 21' ' ' LEU . . . -63.57 -6.76 5.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.539 ' N ' ' O ' ' A' ' 49' ' ' GLN . 7.7 t -109.99 -17.64 13.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.013 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.499 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -43.36 157.91 0.25 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.246 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.471 ' O ' ' CB ' ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.97 168.96 23.67 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 111.028 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.476 HG11 ' CD2' ' A' ' 17' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 55.7 t -71.96 -68.28 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 80' ' ' PHE . . . -48.98 -26.48 2.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -61.68 -24.73 66.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.46 ' HG2' ' N ' ' A' ' 79' ' ' VAL . 3.5 ptm180 -86.52 -27.98 23.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.152 . . . . 0.0 110.271 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.46 ' N ' ' HG2' ' A' ' 78' ' ' ARG . 10.5 t -86.93 -34.12 7.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.508 ' CD2' ' HG2' ' A' ' 43' ' ' GLU . 1.7 m-85 -68.05 -54.26 19.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.28 -41.15 65.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.414 ' ND2' ' O ' ' A' ' 78' ' ' ARG . 91.5 m-20 -64.82 -40.21 94.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.246 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 22' ' ' SER . . . -52.88 -56.84 12.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.449 HD11 ' CZ ' ' A' ' 37' ' ' PHE . 3.4 mm? -52.86 -53.01 55.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -42.43 -57.04 2.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.451 ' CD1' HG21 ' A' ' 18' ' ' THR . 2.3 mt -49.72 -51.43 38.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.237 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.469 HD22 ' CD1' ' A' ' 92' ' ' LEU . 80.6 mt -48.21 -49.03 34.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.435 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 0.1 OUTLIER -62.6 -23.36 67.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 86' ' ' LEU . 1.1 mm-40 -85.3 -25.54 27.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.88 -28.58 17.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.415 ' O ' ' CG2' ' A' ' 107' ' ' THR . . . 102.46 21.45 10.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.485 ' CD2' ' HD2' ' A' ' 26' ' ' LYS . 7.5 mt -82.8 -31.74 28.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 88' ' ' GLN . 2.4 m -147.25 176.53 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.652 ' CE1' ' CB ' ' A' ' 105' ' ' TYR . 28.5 p90 -163.24 151.7 13.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.443 ' HG3' ' CD1' ' A' ' 104' ' ' TYR . 39.0 mt-30 -93.19 134.18 35.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.503 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 0.2 OUTLIER -107.94 72.05 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.302 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 0.7 OUTLIER 155.58 -25.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.29 128.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 145.96 128.86 2.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -41.54 -52.24 3.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 109.983 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -99.22 76.34 2.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -136.05 160.57 38.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.593 ' CD2' ' CE2' ' A' ' 38' ' ' TYR . 1.8 tm? -63.37 130.97 46.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.443 ' CD1' ' HG3' ' A' ' 95' ' ' GLN . 30.3 m-85 -98.55 131.57 44.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.652 ' CB ' ' CE1' ' A' ' 94' ' ' PHE . 3.8 m-85 -103.41 138.06 40.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.476 ' CG1' HD13 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -79.45 161.01 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.415 ' CG2' ' O ' ' A' ' 91' ' ' GLY . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.396 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -163.09 152.3 14.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.518 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -39.15 -31.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -93.53 -39.08 11.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -64.81 -47.77 79.4 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.111 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.483 ' CD2' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -71.59 -33.08 68.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 109.275 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.421 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 1.2 m -63.19 -46.94 84.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.5 t -42.31 -46.12 4.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.491 HD13 ' CD2' ' A' ' 51' ' ' LEU . 0.9 OUTLIER -63.97 -50.24 69.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.496 ' CD1' HD11 ' A' ' 25' ' ' ILE . 7.8 tp -44.0 -45.64 7.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.423 ' C ' HD21 ' A' ' 87' ' ' LEU . 17.5 p -43.4 -56.38 3.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.015 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -61.02 -38.67 86.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.543 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . 30.8 mmtt -53.63 -41.34 66.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.496 HD11 ' CD1' ' A' ' 21' ' ' LEU . 1.5 mp -71.27 -54.97 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.481 ' HD2' ' CD2' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -49.58 -37.11 26.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.41 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 1.5 mm-40 -70.66 -41.77 71.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.359 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.563 ' CD2' HD21 ' A' ' 42' ' ' LEU . 50.5 t80 -53.42 -30.83 42.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.482 ' CD1' ' CG1' ' A' ' 106' ' ' VAL . 8.3 mt -72.34 -47.62 48.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -63.75 -11.68 28.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -93.7 -49.76 5.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.345 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 22.7 mmtp -80.51 -14.38 58.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' LEU . 17.3 mmtt 56.16 65.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.437 ' HE2' ' CD2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -119.69 168.27 11.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -123.39 6.56 9.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 p -166.74 147.63 6.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.972 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.574 ' CE2' HD11 ' A' ' 42' ' ' LEU . 33.5 p90 -176.66 164.7 2.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.545 ' CD1' ' HA ' ' A' ' 103' ' ' LEU . 54.1 m-85 -115.03 149.79 36.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.486 ' CG ' ' HB3' ' A' ' 80' ' ' PHE . 1.5 tt0 -54.25 -43.42 70.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.468 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 4.9 pt20 -56.33 -44.66 80.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.468 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 5.1 mm-40 -56.34 -20.62 19.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.574 HD11 ' CE2' ' A' ' 37' ' ' PHE . 8.4 mt -95.93 -23.5 16.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.433 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 1.3 mm-40 -61.61 -27.38 68.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.2 p -93.43 5.89 50.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.406 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.572 HG12 ' CD2' ' A' ' 48' ' ' LEU . 96.1 t -93.86 112.5 26.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 47' ' ' SER . 0.2 OUTLIER -51.24 -57.26 9.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.344 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' GLU . 18.8 m -37.25 -52.77 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.976 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.613 ' HB3' ' CE1' ' A' ' 80' ' ' PHE . 2.0 mm? -67.04 -65.95 0.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.567 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.6 mm-40 -38.27 -50.99 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.5 t -41.56 -27.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.491 ' CD2' HD13 ' A' ' 20' ' ' LEU . 2.4 tp -100.0 -50.68 3.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.3 -5.72 3.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.567 ' N ' ' O ' ' A' ' 49' ' ' GLN . 4.8 p -107.75 -22.61 12.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.464 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -43.54 156.61 0.28 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.478 ' O ' ' CB ' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.0 168.27 25.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.483 HG11 ' CD2' ' A' ' 17' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 51.3 t -60.21 -67.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.35 -38.42 19.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.417 ' N ' ' OE2' ' A' ' 43' ' ' GLU . 21.8 mt-30 -54.7 -20.45 8.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.496 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 66.4 mtt180 -92.04 -41.95 10.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.459 ' CG1' HD23 ' A' ' 21' ' ' LEU . 33.1 t -66.57 -33.91 66.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.613 ' CE1' ' HB3' ' A' ' 48' ' ' LEU . 2.3 m-85 -67.53 -55.25 14.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -41.56 97.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.503 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 94.4 m-20 -64.15 -20.17 65.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' A' ' 79' ' ' VAL . . . -73.84 -44.34 55.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.524 ' CD2' ' O ' ' A' ' 80' ' ' PHE . 2.9 mm? -62.78 -52.69 62.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -38.26 -55.39 1.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.503 ' CD1' ' O ' ' A' ' 82' ' ' ASN . 1.1 mt -54.63 -51.23 66.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.423 HD21 ' C ' ' A' ' 22' ' ' SER . 87.8 mt -48.76 -41.89 33.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.401 ' HG2' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -66.24 -27.48 67.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -77.72 -25.04 49.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.54 -28.83 18.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.27 19.7 13.82 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.481 ' CD2' ' HD2' ' A' ' 26' ' ' LYS . 8.5 mt -79.05 -41.23 29.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.401 HG23 ' HG2' ' A' ' 88' ' ' GLN . 1.8 m -137.56 174.29 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.401 ' CE1' ' HB2' ' A' ' 105' ' ' TYR . 48.6 p90 -163.3 154.84 17.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.489 ' NE2' ' CE1' ' A' ' 104' ' ' TYR . 29.8 mt-30 -116.18 118.07 31.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.514 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 0.8 OUTLIER -83.22 62.86 6.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 2.0 m-20 154.93 101.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.31 104.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -171.44 138.4 4.86 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.125 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 m -63.19 -45.75 90.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.83 76.94 2.0 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.2 mmtm -129.36 175.14 8.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.545 ' HA ' ' CD1' ' A' ' 38' ' ' TYR . 1.2 tm? -81.57 125.45 30.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.495 ' CD1' ' HB3' ' A' ' 84' ' ' LEU . 64.8 m-85 -90.84 93.64 9.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.467 ' CD2' ' HG3' ' A' ' 96' ' ' ARG . 61.0 m-85 -75.54 140.96 43.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.482 ' CG1' ' CD1' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -82.88 164.11 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.386 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.8 mt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.537 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 0.1 OUTLIER -170.91 155.2 4.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.477 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -42.84 -36.42 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.26 -56.21 5.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.08 -53.47 44.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.47 1.106 . . . . 0.0 110.969 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.523 ' CD1' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -53.64 -36.68 62.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 0.744 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.3 m -68.67 -55.82 10.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.418 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.403 ' O ' ' OG ' ' A' ' 22' ' ' SER . 23.0 t -41.11 -32.09 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.031 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 21' ' ' LEU . 6.3 tp -76.05 -54.2 7.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.453 HD22 ' CG1' ' A' ' 79' ' ' VAL . 7.0 tp -40.13 -47.69 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.416 ' C ' HD22 ' A' ' 87' ' ' LEU . 70.1 p -40.46 -58.0 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.989 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 1.2 mt-10 -60.97 -32.91 72.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.36 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 21' ' ' LEU . 8.4 mmtt -63.26 -36.73 84.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.473 ' CD1' ' HB3' ' A' ' 83' ' ' ALA . 4.8 mt -78.52 -54.17 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.515 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -48.52 -38.64 20.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.515 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 1.9 mm-40 -66.66 -43.3 84.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.581 ' CE2' HD21 ' A' ' 42' ' ' LEU . 47.2 t80 -55.99 -26.79 49.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.572 ' CD2' ' CE2' ' A' ' 37' ' ' PHE . 11.3 mt -76.5 -46.96 24.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -63.52 -10.54 18.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -94.22 -50.87 5.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.569 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 8.8 mmtp -80.99 -21.54 40.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.52 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER 55.57 67.52 1.0 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.549 ' SD ' ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -104.86 173.81 6.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -124.5 -6.65 7.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.6 p -169.0 136.87 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.977 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.572 ' CE2' ' CD2' ' A' ' 29' ' ' LEU . 8.4 p90 -164.3 168.44 18.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.578 ' CE2' HD11 ' A' ' 103' ' ' LEU . 59.4 m-85 -113.1 154.74 26.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.529 ' HB2' ' CE2' ' A' ' 104' ' ' TYR . 1.5 tt0 -61.01 -36.76 80.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -62.79 -30.15 71.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.267 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -67.96 -19.04 64.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.581 HD21 ' CE2' ' A' ' 28' ' ' PHE . 9.3 mt -99.12 -22.37 15.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.439 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 1.9 mm-40 -64.18 -27.18 68.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.6 p -90.05 3.72 52.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.389 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.576 HG12 ' CD2' ' A' ' 48' ' ' LEU . 57.6 t -90.52 130.36 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 47' ' ' SER . 1.3 tt0 -66.83 -59.87 3.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 46' ' ' GLU . 38.1 m -37.27 -49.81 0.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.595 ' HB3' ' CZ ' ' A' ' 80' ' ' PHE . 1.7 mm? -68.33 -67.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 53' ' ' SER . 3.1 mm-40 -38.46 -51.76 1.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.23 -28.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.476 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 1.8 tp -99.93 -49.49 4.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.246 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.59 -6.3 2.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 49' ' ' GLN . 69.4 m -113.94 -11.78 12.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.99 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 1.0 OUTLIER -54.02 160.22 2.42 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.457 ' C ' ' CG2' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.99 172.48 16.29 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.421 1.748 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.537 ' CG1' ' HA ' ' A' ' 13' ' ' ASP . 1.9 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.407 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 45.1 t -59.76 -65.6 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.39 -39.75 23.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -54.72 -21.26 10.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.501 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 86.3 mtt-85 -90.41 -40.37 12.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.453 ' CG1' HD22 ' A' ' 21' ' ' LEU . 40.0 t -67.06 -34.6 70.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.595 ' CZ ' ' HB3' ' A' ' 48' ' ' LEU . 3.1 m-85 -68.59 -54.84 14.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.954 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.414 ' NZ ' ' HB3' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -61.74 -41.94 98.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 78' ' ' ARG . 93.0 m-20 -63.46 -22.78 67.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.473 ' HB3' ' CD1' ' A' ' 25' ' ' ILE . . . -71.36 -50.33 33.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.532 ' CD2' ' O ' ' A' ' 80' ' ' PHE . 3.2 mm? -55.1 -51.0 67.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -38.55 -54.66 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.317 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.39 -41.79 90.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 84' ' ' LEU . 90.5 mt -57.25 -43.54 83.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -64.65 -19.53 65.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.255 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -87.96 -26.84 22.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 110.259 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.75 -29.63 22.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.24 17.63 15.34 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.491 HD21 ' CG ' ' A' ' 26' ' ' LYS . 4.3 mt -78.23 -34.7 49.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.3 m -142.24 176.41 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.591 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 12.8 p90 -162.24 148.81 13.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.466 ' NE2' ' CE1' ' A' ' 104' ' ' TYR . 17.9 mt-30 -119.18 121.58 40.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.409 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 29.4 mtp180 -87.58 55.1 3.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 0.7 OUTLIER 162.91 -49.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.52 168.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.015 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 101' ' ' ASP . . . 132.29 42.85 0.17 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 99' ' ' GLY . 0.9 OUTLIER 37.93 31.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 0.775 . . . . 0.0 110.001 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 99' ' ' GLY . 55.3 p30 -169.06 44.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -135.18 171.21 14.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.578 HD11 ' CE2' ' A' ' 38' ' ' TYR . 6.1 tt -81.74 153.54 26.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.529 ' CE2' ' HB2' ' A' ' 39' ' ' GLN . 46.9 m-85 -111.04 91.89 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.591 ' HB3' ' CZ ' ' A' ' 94' ' ' PHE . 68.4 m-85 -71.25 116.42 11.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.477 ' CG2' HD12 ' A' ' 29' ' ' LEU . 1.8 p -79.77 151.34 4.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 11.3 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.385 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 mt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.492 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -161.46 152.86 18.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.489 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -39.2 -34.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.22 -48.97 14.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -60.6 -57.26 19.84 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.489 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -54.04 -39.72 66.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.34 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 21' ' ' LEU . 1.2 m -60.34 -59.93 4.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 110.434 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 18' ' ' THR . 7.7 t -38.53 -35.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 110.042 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 tp -71.8 -53.97 11.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.568 ' O ' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -41.28 -50.45 3.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.498 ' O ' ' HB3' ' A' ' 26' ' ' LYS . 52.5 p -35.23 -58.72 0.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.455 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 1.7 mm-40 -59.53 -36.67 76.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.568 ' N ' ' O ' ' A' ' 21' ' ' LEU . 23.1 mmtt -64.3 -55.97 17.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.531 ' CD1' ' CD1' ' A' ' 21' ' ' LEU . 7.2 mt -58.63 -49.47 82.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.511 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -55.56 -39.68 70.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.511 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 1.7 mm-40 -60.93 -42.3 97.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.583 ' CE1' ' HE3' ' A' ' 32' ' ' LYS . 84.5 t80 -56.98 -36.17 70.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.521 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -61.27 -48.84 79.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -69.86 -14.31 62.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -83.93 -43.46 15.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.616 ' HB2' ' SD ' ' A' ' 34' ' ' MET . 22.3 mmtp -91.54 -23.3 19.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER 58.96 67.57 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.616 ' SD ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -110.35 177.89 4.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 111.042 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -124.41 -5.28 7.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.296 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.441 ' CB ' HD12 ' A' ' 103' ' ' LEU . 0.2 OUTLIER -168.22 142.83 3.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.019 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.484 ' CE2' HD22 ' A' ' 29' ' ' LEU . 38.2 p90 -163.71 161.37 23.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.575 ' CE2' ' CD2' ' A' ' 103' ' ' LEU . 44.6 m-85 -109.92 153.54 24.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.971 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -50.34 -33.8 21.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.408 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 5.4 pt20 -69.62 -41.79 75.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.408 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 16.5 mm-40 -56.06 -17.58 7.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.444 HD11 ' CG2' ' A' ' 25' ' ' ILE . 11.1 mt -104.24 -18.42 14.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.449 ' O ' ' CD ' ' A' ' 49' ' ' GLN . 8.1 mt-10 -68.0 -6.58 23.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.284 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.1 p -107.82 -2.61 19.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.378 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.569 HG13 ' CD1' ' A' ' 28' ' ' PHE . 77.2 t -84.92 93.85 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.425 ' C ' ' N ' ' A' ' 48' ' ' LEU . 0.4 OUTLIER -46.59 -58.92 3.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 110.284 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.4 m -41.95 -28.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.974 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.505 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 18.0 mt -90.3 -61.12 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.496 ' O ' ' N ' ' A' ' 53' ' ' SER . 1.9 mt-30 -43.34 -46.29 6.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.57 -26.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.975 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 21' ' ' LEU . 1.9 tp -98.86 -48.33 4.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.74 -8.49 6.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 49' ' ' GLN . 57.9 m -113.03 -19.19 11.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -41.72 159.38 0.18 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.489 ' O ' ' CB ' ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.95 169.12 23.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.778 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.492 ' CG2' ' HA ' ' A' ' 13' ' ' ASP . 1.2 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.2 t -61.9 -61.91 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 0.79 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.92 -32.78 21.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -62.47 -17.43 59.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.497 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 80.5 mtt-85 -93.93 -29.76 15.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.344 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.437 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 20.7 t -77.93 -32.43 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -76.79 -30.55 56.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.43 ' NZ ' ' HB3' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -86.25 -37.53 18.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 78' ' ' ARG . 87.0 m-20 -71.31 -45.41 63.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.549 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . . . -58.75 -42.04 87.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.41 ' O ' ' HB2' ' A' ' 87' ' ' LEU . 45.4 mt -62.94 -32.78 74.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.9 -57.91 10.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.2 mp -48.82 -42.42 36.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.414 ' CD2' ' HB2' ' A' ' 22' ' ' SER . 79.6 mt -53.54 -44.07 68.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.357 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 6.5 mt-30 -65.68 -21.22 66.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -86.36 -30.83 21.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -83.53 -29.97 27.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.94 16.64 16.32 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.461 1.101 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.414 ' CD1' HD21 ' A' ' 87' ' ' LEU . 3.1 mt -76.79 -31.43 56.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 88' ' ' GLN . 1.2 m -146.33 172.49 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.582 ' CD1' ' HB2' ' A' ' 105' ' ' TYR . 39.9 p90 -163.81 145.99 9.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.442 ' OE1' ' CE2' ' A' ' 104' ' ' TYR . 22.1 mt-30 -117.05 136.58 52.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.245 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -96.28 -45.84 6.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.15 -21.31 61.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.03 166.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.097 . . . . 0.0 109.988 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 106.84 149.93 16.71 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.456 1.098 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.7 t -68.55 142.44 55.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 109.989 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 44.7 t0 63.89 53.86 1.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.538 ' O ' ' CD1' ' A' ' 104' ' ' TYR . 27.3 mmtt -124.35 175.33 7.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.575 ' CD2' ' CE2' ' A' ' 38' ' ' TYR . 1.3 tm? -75.33 124.06 26.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.538 ' CD1' ' O ' ' A' ' 102' ' ' LYS . 59.6 m-85 -102.64 114.26 28.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.582 ' HB2' ' CD1' ' A' ' 94' ' ' PHE . 20.5 m-30 -80.62 124.22 28.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.6 t -67.15 163.54 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.404 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.483 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 1.7 m-20 -166.75 155.88 10.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.46 ' O ' ' CB ' ' A' ' 18' ' ' THR . 0.4 OUTLIER -37.52 -40.55 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.34 -47.69 19.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -57.22 -54.99 32.8 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -63.52 -28.93 70.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 109.301 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.46 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 1.0 OUTLIER -66.52 -51.2 59.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.398 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 18' ' ' THR . 22.7 t -38.47 -37.36 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.46 ' CD1' HD22 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -73.44 -55.22 6.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.494 ' O ' ' HB2' ' A' ' 24' ' ' LYS . 13.9 tp -42.66 -43.15 3.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.446 ' C ' HD21 ' A' ' 87' ' ' LEU . 5.2 p -39.14 -55.98 1.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.04 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.59 -37.42 86.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.583 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . 21.9 mmtt -55.0 -40.76 70.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.493 ' CD1' ' HG ' ' A' ' 21' ' ' LEU . 1.3 mp -72.12 -51.5 30.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.496 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -55.96 -39.11 71.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.496 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 1.4 mm-40 -65.41 -44.41 87.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.614 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 76.7 t80 -50.4 -35.57 28.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 33' ' ' LYS . 9.1 mt -66.81 -46.34 75.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -63.55 -14.14 48.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -94.0 -48.21 6.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.567 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 16.6 mmtp -79.83 -16.11 56.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 29' ' ' LEU . 8.4 mttt 57.74 65.7 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.405 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -128.76 146.41 50.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 110.981 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -106.6 8.53 31.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 p -166.7 136.76 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.495 ' CE1' HD13 ' A' ' 29' ' ' LEU . 37.0 p90 -166.62 -176.1 3.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.605 ' CZ ' ' CD2' ' A' ' 103' ' ' LEU . 91.9 m-85 -128.77 147.7 50.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.509 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 2.4 tt0 -53.4 -24.87 13.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -74.54 -13.22 60.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -83.63 -14.27 52.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.614 ' CD1' ' CD2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -106.69 -20.85 13.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.471 ' OE2' ' CD2' ' A' ' 80' ' ' PHE . 5.5 mm-40 -65.24 -28.34 69.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.1 p -93.94 -1.83 54.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.417 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.58 HG13 ' CE1' ' A' ' 28' ' ' PHE . 99.0 t -89.32 106.68 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 47' ' ' SER . 0.0 OUTLIER -47.58 -54.36 11.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.292 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -38.11 -51.27 1.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.948 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.646 ' HB3' ' CE1' ' A' ' 80' ' ' PHE . 2.4 mm? -67.49 -65.84 0.64 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.558 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.0 mt-30 -38.11 -48.45 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.6 t -42.84 -28.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.005 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 1.7 tp -100.2 -50.66 3.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.43 -8.39 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.558 ' N ' ' O ' ' A' ' 49' ' ' GLN . 51.7 p -108.48 -23.8 11.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.995 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.471 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.7 OUTLIER -39.58 159.5 0.12 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.456 ' O ' ' CB ' ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.98 166.34 29.42 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.483 ' CG2' ' HA ' ' A' ' 13' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.495 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.402 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 77.5 t -43.09 -42.73 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.28 -43.43 98.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.495 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 10.8 mt-30 -52.45 -20.14 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.463 ' NH1' ' C ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -89.87 -32.32 16.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.286 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.464 ' CG1' HD22 ' A' ' 21' ' ' LEU . 12.8 t -77.61 -37.68 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.646 ' CE1' ' HB3' ' A' ' 48' ' ' LEU . 7.8 m-85 -64.1 -49.34 72.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 111.041 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -43.93 85.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 78' ' ' ARG . 91.5 m-20 -60.39 -44.47 95.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 79' ' ' VAL . . . -53.86 -47.32 71.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.509 ' CD1' ' HB2' ' A' ' 39' ' ' GLN . 17.6 mt -57.53 -51.12 70.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.8 OUTLIER -37.64 -56.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.32 -46.68 72.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.45 ' CD1' HG21 ' A' ' 25' ' ' ILE . 73.4 mt -49.91 -44.75 50.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -64.12 -25.18 67.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.257 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -80.49 -34.64 35.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.57 -28.82 41.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.14 17.8 17.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.467 ' CD2' ' HD2' ' A' ' 26' ' ' LYS . 3.1 mt -76.3 -37.03 58.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 0.738 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.3 m -139.76 176.24 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 6.5 p90 -162.86 146.23 11.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -107.93 127.33 53.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -101.31 -66.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.097 . . . . 0.0 110.282 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 98' ' ' SER . 60.0 m-20 -52.91 -23.82 7.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 97' ' ' ASP . 0.4 OUTLIER 61.0 141.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.411 ' CA ' ' HG3' ' A' ' 102' ' ' LYS . . . 133.25 159.04 8.96 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.537 1.148 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.2 p -58.94 -73.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.753 . . . . 0.0 109.975 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -79.13 75.45 5.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.411 ' HG3' ' CA ' ' A' ' 99' ' ' GLY . 37.2 mmtt -132.45 163.84 27.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.605 ' CD2' ' CZ ' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -75.94 127.56 33.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.414 ' N ' HD12 ' A' ' 103' ' ' LEU . 55.0 m-85 -95.23 104.06 15.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.566 ' CD1' HD11 ' A' ' 103' ' ' LEU . 22.5 m-30 -73.83 126.82 31.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.437 ' CB ' HD12 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -101.18 147.35 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 106' ' ' VAL . 1.7 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.39 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.423 ' C ' ' OD1' ' A' ' 13' ' ' ASP . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.558 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 0.1 OUTLIER 174.84 158.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.491 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -41.82 -28.32 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 13' ' ' ASP . . . -94.01 -38.49 11.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -66.03 -51.56 44.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.416 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -66.68 -32.96 74.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.81 -56.12 24.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 110.394 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.4 t -39.98 -45.6 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.972 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.487 HD13 ' CD2' ' A' ' 51' ' ' LEU . 1.4 tm? -61.92 -50.45 72.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.472 ' HG ' ' CD1' ' A' ' 25' ' ' ILE . 7.3 tp -47.59 -44.15 26.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.448 ' C ' HD21 ' A' ' 87' ' ' LEU . 3.5 p -43.22 -50.74 6.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.972 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 4.2 mt-10 -65.08 -30.18 71.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.479 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . 12.3 mmtt -65.94 -42.32 90.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.483 HG22 ' CD2' ' A' ' 84' ' ' LEU . 3.0 mt -73.13 -45.39 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.512 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -58.99 -38.61 79.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.512 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 4.7 mm-40 -69.73 -44.84 69.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.707 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 77.9 t80 -43.73 -39.58 3.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.569 HD13 ' CE1' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -61.43 -46.08 91.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -66.87 -15.39 63.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -90.43 -48.15 7.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.572 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 24.1 mmtp -80.95 -16.41 53.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER 57.8 64.68 1.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.457 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -127.56 143.11 51.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 110.985 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -96.16 1.11 52.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.482 ' CB ' HD12 ' A' ' 103' ' ' LEU . 0.3 OUTLIER -165.04 141.14 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.984 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.569 ' CE1' HD13 ' A' ' 29' ' ' LEU . 44.5 p90 -165.17 -179.48 5.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.588 ' CE2' HD23 ' A' ' 103' ' ' LEU . 97.4 m-85 -125.8 149.27 48.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.504 ' OE1' ' CB ' ' A' ' 81' ' ' LYS . 26.6 tt0 -53.18 -25.8 15.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -73.37 -13.95 61.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -83.24 -10.75 58.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.707 ' CD1' ' CD2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -110.14 -21.22 12.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.471 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 39.2 mt-10 -65.0 -29.91 70.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 p -93.48 -2.69 54.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 110.362 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.574 HG11 ' CD2' ' A' ' 48' ' ' LEU . 95.9 t -87.51 96.93 6.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -40.85 -49.29 3.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.261 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.63 -50.7 4.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.991 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.636 ' HB3' ' CE1' ' A' ' 80' ' ' PHE . 2.7 mm? -69.39 -64.3 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.544 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.0 mm-40 -39.83 -48.44 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.263 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.87 -27.8 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.487 ' CD2' HD13 ' A' ' 20' ' ' LEU . 2.4 tp -99.97 -46.78 5.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.69 -3.07 5.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.544 ' N ' ' O ' ' A' ' 49' ' ' GLN . 24.0 t -113.94 -13.58 12.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.995 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.426 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -51.11 159.08 1.09 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.443 ' C ' ' CG2' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.04 168.34 25.03 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.558 ' CG1' ' HA ' ' A' ' 13' ' ' ASP . 1.7 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.428 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 50.2 t -43.16 -62.39 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 0.773 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.2 -49.09 61.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -51.48 -31.02 22.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.285 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.52 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 74.6 mtt-85 -77.72 -33.97 52.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.41 ' CG1' HD22 ' A' ' 21' ' ' LEU . 21.2 t -72.84 -32.7 41.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.636 ' CE1' ' HB3' ' A' ' 48' ' ' LEU . 5.4 m-85 -69.94 -35.99 74.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.504 ' CB ' ' OE1' ' A' ' 39' ' ' GLN . 0.1 OUTLIER -79.78 -45.98 17.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' A' ' 78' ' ' ARG . 86.2 m-20 -61.17 -30.35 70.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.425 ' HA ' HD13 ' A' ' 86' ' ' LEU . . . -70.9 -42.22 70.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.483 ' CD2' HG22 ' A' ' 25' ' ' ILE . 23.5 mt -62.65 -47.85 81.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -41.17 -54.87 2.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 83' ' ' ALA . 1.1 mp -52.54 -44.48 65.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.448 HD21 ' C ' ' A' ' 22' ' ' SER . 29.0 mt -51.9 -45.75 64.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -64.91 -20.21 66.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -87.6 -29.63 21.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -85.49 -29.45 24.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.13 16.24 19.36 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.483 1.115 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.474 ' CD2' ' HD2' ' A' ' 26' ' ' LYS . 3.1 mt -76.97 -33.62 57.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.2 m -142.14 172.49 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.24 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 31.8 p90 -162.25 148.54 13.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.535 ' OE1' ' CE1' ' A' ' 104' ' ' TYR . 33.4 mt-30 -115.79 118.13 32.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.264 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.405 ' O ' ' CG ' ' A' ' 97' ' ' ASP . 2.5 mtt180 -105.61 75.67 1.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 96' ' ' ARG . 4.0 m-20 175.3 -35.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.0 p 77.06 116.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.974 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 162.13 179.41 36.75 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.546 1.154 . . . . 0.0 111.046 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.8 p -93.85 -59.66 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 109.979 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -88.27 79.03 7.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -136.17 166.19 23.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.592 HD13 ' CD1' ' A' ' 105' ' ' TYR . 1.1 tm? -75.99 127.07 32.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.535 ' CE1' ' OE1' ' A' ' 95' ' ' GLN . 64.3 m-85 -91.94 104.81 17.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.592 ' CD1' HD13 ' A' ' 103' ' ' LEU . 23.3 m-30 -75.15 132.29 41.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -85.78 162.06 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 92' ' ' LEU . 4.9 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.374 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.436 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 3.1 p-10 -174.79 155.62 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 18' ' ' THR . 0.3 OUTLIER -37.43 -47.34 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.25 -55.5 15.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.075 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.41 -59.62 9.35 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.697 ' CD1' ' CD2' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -55.26 -36.98 66.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.493 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 1.7 m -62.94 -52.67 62.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.424 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.4 t -40.75 -50.62 3.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.041 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 tp -57.47 -57.28 13.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.486 ' HA ' ' CD1' ' A' ' 51' ' ' LEU . 19.7 tp -41.72 -48.28 4.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.44 ' C ' HD23 ' A' ' 87' ' ' LEU . 4.1 p -41.38 -52.23 3.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 110.025 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 3.6 mt-10 -63.5 -34.9 78.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.537 ' HB3' ' CD2' ' A' ' 48' ' ' LEU . 3.5 mmtt -61.6 -43.95 97.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.471 ' CG2' ' HG ' ' A' ' 42' ' ' LEU . 5.0 mt -73.02 -47.82 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.514 ' HD2' ' CD2' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -56.18 -37.11 69.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 23' ' ' GLU . 1.4 mm-40 -66.77 -42.36 86.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.573 ' CE1' ' HE3' ' A' ' 32' ' ' LYS . 83.6 t80 -54.69 -28.85 50.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.579 HD21 ' CZ ' ' A' ' 37' ' ' PHE . 9.7 mt -71.07 -48.75 50.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -64.56 -11.93 39.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -93.76 -47.05 6.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.573 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 14.5 mmtp -83.02 -10.71 58.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER 48.47 61.72 2.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.463 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -112.01 158.57 19.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 111.054 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -109.73 -0.75 18.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.253 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.439 ' CB ' HD13 ' A' ' 103' ' ' LEU . 0.3 OUTLIER -166.6 150.71 7.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.972 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.579 ' CZ ' HD21 ' A' ' 29' ' ' LEU . 43.6 p90 -174.06 -175.41 1.03 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.956 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.59 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 82.9 m-85 -130.16 145.61 51.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.506 ' CG ' ' HB3' ' A' ' 80' ' ' PHE . 1.8 tt0 -52.48 -29.39 24.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -71.94 -13.48 61.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.318 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -83.66 -10.26 58.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.615 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -103.1 -23.63 13.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.505 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 3.6 mm-40 -66.65 -23.59 66.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 p -82.16 -17.31 46.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.455 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.514 ' HB ' ' CD1' ' A' ' 48' ' ' LEU . 38.4 t -81.07 111.11 17.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -52.86 -62.52 1.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.5 m -38.79 -30.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.082 . . . . 0.0 109.976 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.537 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 88.8 mt -84.36 -56.99 3.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 2.0 mt-30 -47.53 -44.17 25.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.245 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.405 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 4.9 t -53.6 -21.15 6.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.983 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.697 ' CD2' ' CD1' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -98.45 -54.37 3.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.48 ' CB ' ' CD2' ' A' ' 21' ' ' LEU . . . -65.88 -4.94 7.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 49' ' ' GLN . 40.2 p -111.73 -14.95 13.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.995 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.467 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 1.8 mtt180 -47.98 157.87 0.6 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.462 ' O ' ' CB ' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.01 169.51 22.47 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.45 1.763 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.462 ' CB ' ' O ' ' A' ' 55' ' ' PRO . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.247 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.469 ' O ' ' CD ' ' A' ' 78' ' ' ARG . 11.3 p -71.6 -56.0 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.462 ' N ' ' CG1' ' A' ' 75' ' ' VAL . . . -60.68 -24.05 65.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -64.15 -28.26 69.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.5 ' HG2' ' N ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -81.12 -26.44 36.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.5 ' N ' ' HG2' ' A' ' 78' ' ' ARG . 6.5 t -88.53 -35.04 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.506 ' HB3' ' CG ' ' A' ' 39' ' ' GLN . 1.9 m-85 -70.6 -51.82 25.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.142 . . . . 0.0 110.967 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 82' ' ' ASN . 0.3 OUTLIER -55.6 -38.62 69.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.424 ' N ' ' HG3' ' A' ' 81' ' ' LYS . 92.0 m-20 -68.35 -40.07 81.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.77 -58.07 7.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 84' ' ' LEU . 3.6 mm? -50.44 -51.43 46.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.64 -61.57 1.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 89' ' ' GLU . 1.3 mt -45.66 -51.38 12.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.44 HD23 ' C ' ' A' ' 22' ' ' SER . 49.3 mt -46.97 -42.72 18.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.422 ' HG2' HG21 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -65.68 -29.12 69.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.291 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 86' ' ' LEU . 0.7 OUTLIER -75.86 -25.4 56.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.7 -30.18 18.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 106.36 9.07 32.17 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.525 1.141 . . . . 0.0 111.043 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.514 ' CD2' ' HD2' ' A' ' 26' ' ' LYS . 2.0 mt -67.39 -46.9 71.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.422 HG21 ' HG2' ' A' ' 88' ' ' GLN . 3.2 m -132.08 178.1 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 20.4 p90 -163.53 156.76 18.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -119.92 133.68 55.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -108.23 -53.12 2.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -57.86 -22.08 46.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.2 m 62.08 131.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 110.018 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 136.39 144.27 4.81 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 t -54.47 -58.54 7.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.006 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -85.01 67.39 10.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -130.61 168.2 17.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.59 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -77.66 125.38 29.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.451 ' N ' HD12 ' A' ' 103' ' ' LEU . 26.6 m-85 -91.69 110.98 22.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 111.049 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.583 ' CD1' HD11 ' A' ' 103' ' ' LEU . 22.5 m-30 -81.35 127.27 32.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.951 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.5 p -95.78 147.19 6.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.3 mt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -163.11 151.0 13.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.494 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -38.75 -32.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 13' ' ' ASP . . . -84.31 -48.22 9.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -58.47 -54.54 36.88 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.533 1.145 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.689 ' CD1' ' CD2' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -62.45 -28.24 69.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.403 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -66.73 -55.47 14.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.367 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.4 t -41.41 -46.17 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.988 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.41 HD21 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -62.07 -54.78 36.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.49 ' CD2' ' CB ' ' A' ' 52' ' ' ALA . 30.9 tp -48.6 -47.53 39.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.444 ' O ' HD22 ' A' ' 87' ' ' LEU . 6.1 p -39.98 -54.62 2.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.003 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.93 -38.29 81.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.515 ' HB3' ' CD2' ' A' ' 48' ' ' LEU . 7.7 mmtt -57.82 -39.59 77.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.464 ' CD1' ' HG ' ' A' ' 21' ' ' LEU . 4.1 mt -72.96 -52.02 24.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.506 ' HB2' ' HG ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -55.33 -35.77 65.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -71.74 -35.02 69.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.083 . . . . 0.0 110.301 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.595 ' CE2' ' HG3' ' A' ' 32' ' ' LYS . 69.9 t80 -62.38 -39.08 92.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.574 HD22 ' CE2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -58.38 -52.88 63.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -65.44 -11.82 46.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -90.89 -39.3 12.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.595 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 20.0 mmtp -90.02 -13.83 35.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 56.69 65.11 1.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.473 ' CE ' HD13 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -125.82 157.28 37.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 110.955 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -116.51 10.62 14.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.3 p -166.85 145.95 5.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.977 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.574 ' CE2' HD22 ' A' ' 29' ' ' LEU . 30.0 p90 -178.1 163.81 1.75 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 111.048 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.576 ' CE2' HD22 ' A' ' 103' ' ' LEU . 48.5 m-85 -114.61 163.83 14.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -62.54 -26.63 68.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.452 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 10.4 pt20 -73.7 -43.77 58.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.34 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.452 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 4.6 mm-40 -56.08 -18.64 10.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.488 HD13 ' CE1' ' A' ' 37' ' ' PHE . 11.2 mt -103.15 -17.74 15.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.426 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 12.1 mm-40 -68.09 -8.54 38.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.7 p -105.12 -2.11 24.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.408 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.415 HG12 ' CE1' ' A' ' 28' ' ' PHE . 53.2 t -86.13 107.65 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -54.25 -63.51 1.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.5 OUTLIER -38.06 -31.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.994 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.515 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 14.1 mt -84.37 -60.52 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.559 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.0 mt-30 -46.39 -47.34 18.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.62 -23.15 1.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.942 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.689 ' CD2' ' CD1' ' A' ' 17' ' ' LEU . 1.3 tt -98.83 -55.09 2.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.107 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.49 ' CB ' ' CD2' ' A' ' 21' ' ' LEU . . . -64.4 -5.92 6.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.559 ' N ' ' O ' ' A' ' 49' ' ' GLN . 22.7 t -107.24 -20.32 13.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.079 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.5 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -42.08 157.42 0.22 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.243 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.02 169.87 21.67 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.799 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.484 HG11 ' CD2' ' A' ' 17' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.53 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 10.6 p -70.16 -54.65 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.454 ' N ' ' CG1' ' A' ' 75' ' ' VAL . . . -62.04 -26.47 68.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -58.88 -21.25 56.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' A' ' 75' ' ' VAL . 7.7 ptp180 -89.65 -33.36 16.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.253 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.422 ' N ' ' HG2' ' A' ' 78' ' ' ARG . 3.7 t -81.75 -32.56 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 76' ' ' ALA . 2.0 m-85 -69.36 -45.31 69.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -39.25 90.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 78' ' ' ARG . 73.6 m-20 -69.36 -45.38 69.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.94 -43.52 69.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 87' ' ' LEU . 47.6 mt -62.52 -33.53 75.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.65 -55.73 30.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.444 ' CD2' ' H ' ' A' ' 86' ' ' LEU . 3.1 mm? -49.96 -43.64 50.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.467 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 5.4 mt -54.19 -51.34 64.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -57.32 -19.38 22.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -93.67 -29.08 15.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.437 ' HB2' HD23 ' A' ' 92' ' ' LEU . 1.3 mttm -83.34 -14.11 53.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.414 ' O ' ' HB ' ' A' ' 107' ' ' THR . . . 93.66 7.65 61.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.506 ' HG ' ' HB2' ' A' ' 26' ' ' LYS . 4.1 mm? -64.54 -56.07 16.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.248 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.8 m -124.18 -180.0 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.503 ' CE1' ' HB2' ' A' ' 105' ' ' TYR . 12.7 p90 -161.46 145.02 12.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -105.55 125.36 50.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.289 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -82.55 -50.91 8.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.53 111.4 24.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.11 134.9 17.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 150.94 133.51 2.07 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.469 1.106 . . . . 0.0 111.03 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 m -81.8 56.32 3.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 0.772 . . . . 0.0 109.977 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.9 t0 178.75 49.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -127.96 156.46 42.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.576 HD22 ' CE2' ' A' ' 38' ' ' TYR . 1.1 tm? -61.96 122.17 14.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.417 ' N ' HD13 ' A' ' 103' ' ' LEU . 81.1 m-85 -83.15 105.27 13.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.522 ' CD1' HD12 ' A' ' 103' ' ' LEU . 36.4 m-85 -84.72 135.58 34.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -80.59 164.9 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 92' ' ' LEU . 8.7 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 110.405 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.1 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.485 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 0.5 OUTLIER -164.93 153.45 12.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.49 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -37.43 -37.82 0.21 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.83 -50.75 14.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.234 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -57.19 -56.58 24.3 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.515 ' CD1' ' O ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -58.77 -29.87 67.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.468 ' CG2' HD13 ' A' ' 86' ' ' LEU . 1.0 OUTLIER -66.9 -56.14 11.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 18' ' ' THR . 29.0 t -38.67 -38.5 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 tp -70.41 -58.88 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.479 ' HG ' ' CD1' ' A' ' 25' ' ' ILE . 6.8 tp -41.15 -44.58 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.54 ' CB ' HD11 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -44.77 -48.57 10.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.53 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . 4.8 mt-10 -67.55 -27.65 67.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.461 ' HB3' ' CD2' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -71.51 -40.29 70.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.491 HD12 ' CD1' ' A' ' 80' ' ' PHE . 3.2 mt -75.82 -44.51 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.53 ' CE ' ' HA ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -60.21 -39.75 87.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.529 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 4.6 mm-40 -67.41 -45.31 76.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.338 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.636 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 82.3 t80 -48.29 -34.68 10.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.956 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.575 HD13 ' CZ ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -61.62 -47.76 83.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -71.32 -13.13 61.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -90.07 -39.71 12.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.586 ' HG3' ' CZ ' ' A' ' 28' ' ' PHE . 51.6 mmtt -89.19 -13.53 38.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt 55.09 58.71 4.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.496 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -117.52 158.8 23.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -112.9 2.54 15.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.343 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.3 p -166.6 148.94 6.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.575 ' CZ ' HD13 ' A' ' 29' ' ' LEU . 14.3 p90 -177.83 -178.23 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.066 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.612 ' CZ ' ' CD2' ' A' ' 103' ' ' LEU . 90.6 m-85 -128.23 147.82 50.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.519 ' CG ' ' HB3' ' A' ' 80' ' ' PHE . 1.9 tm0? -53.18 -19.49 3.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -80.05 -14.19 58.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -83.29 -10.38 58.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.276 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.636 ' CD1' ' CD2' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -106.25 -22.5 12.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.442 ' O ' ' CD ' ' A' ' 49' ' ' GLN . 2.4 mm-40 -64.86 -18.55 65.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.1 p -96.19 -10.4 28.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 110.389 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.577 HG22 ' CE1' ' A' ' 28' ' ' PHE . 76.9 t -80.47 95.25 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.44 -52.33 10.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 73.9 m -48.18 -24.2 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.995 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' ' 42' ' ' LEU . 61.0 mt -95.01 -57.08 2.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.496 ' O ' ' N ' ' A' ' 53' ' ' SER . 1.9 mt-30 -43.37 -42.81 4.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.71 -24.51 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.013 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.451 ' CD2' ' HG3' ' A' ' 24' ' ' LYS . 2.3 tp -98.28 -49.23 4.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.516 ' CB ' ' CE2' ' A' ' 80' ' ' PHE . . . -64.35 -7.08 8.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 49' ' ' GLN . 35.0 t -109.33 -20.68 12.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.967 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.7 OUTLIER -44.36 159.55 0.25 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.289 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.484 ' O ' ' HB ' ' A' ' 56' ' ' VAL . 18.1 Cg_endo -75.06 167.92 25.94 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.485 ' CG2' ' HA ' ' A' ' 13' ' ' ASP . 1.4 p . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.514 ' O ' ' CZ ' ' A' ' 78' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.415 ' CG1' ' N ' ' A' ' 76' ' ' ALA . 13.2 p -63.91 -56.25 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.415 ' HB1' ' CB ' ' A' ' 52' ' ' ALA . . . -50.54 -31.86 16.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -64.41 -22.83 67.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.514 ' CZ ' ' O ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -86.32 -30.81 21.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 25.5 t -80.53 -41.72 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.519 ' HB3' ' CG ' ' A' ' 39' ' ' GLN . 2.1 m-85 -66.02 -59.55 3.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.77 -35.8 23.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 78' ' ' ARG . 78.4 m-20 -67.56 -45.81 74.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' A' ' 22' ' ' SER . . . -47.83 -56.38 7.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.56 ' HG ' ' CD2' ' A' ' 104' ' ' TYR . 3.0 mm? -50.55 -49.76 55.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -46.94 -57.58 4.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.349 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.468 HD13 ' CG2' ' A' ' 18' ' ' THR . 1.0 OUTLIER -56.97 -47.57 80.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.54 HD11 ' CB ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -46.74 -49.77 19.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -57.83 -39.45 77.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -64.98 -32.28 73.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.436 ' NZ ' ' HB3' ' A' ' 86' ' ' LEU . 5.2 mttp -83.83 -27.34 28.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.17 11.74 33.24 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.466 1.104 . . . . 0.0 110.965 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.495 HD22 ' CG ' ' A' ' 26' ' ' LYS . 4.1 mt -68.22 -41.84 80.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.789 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.9 m -135.83 178.12 5.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 18.9 p90 -161.58 148.47 14.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -108.6 139.43 43.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.564 ' HG3' ' CE2' ' A' ' 105' ' ' TYR . 19.7 mtm180 -109.58 38.99 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.68 108.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.41 107.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.056 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -167.41 170.58 41.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.463 1.102 . . . . 0.0 111.045 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.34 -19.34 20.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.756 . . . . 0.0 110.035 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.3 89.64 2.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.0 mmtm -136.69 178.35 7.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.612 ' CD2' ' CZ ' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -80.37 122.72 27.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.56 ' CD2' ' HG ' ' A' ' 84' ' ' LEU . 30.4 m-85 -89.99 91.1 8.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 94' ' ' PHE . 63.4 m-85 -70.87 116.97 11.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.2 p -75.73 156.14 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 92' ' ' LEU . 2.2 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.399 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.509 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 1.0 OUTLIER -179.48 155.82 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 13' ' ' ASP . 6.0 tp -36.08 -33.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -78.7 -55.33 5.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -60.17 -43.86 97.97 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.611 ' CD2' ' CD2' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -60.65 -27.89 68.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 0.783 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.439 HG21 ' C ' ' A' ' 82' ' ' ASN . 1.3 m -76.91 -55.5 5.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.362 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.4 t -43.39 -39.98 3.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.968 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.448 ' HG ' ' CD1' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -71.26 -65.43 0.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.532 HD13 ' CB ' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -41.34 -52.7 3.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.533 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 45.4 p -37.97 -34.99 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 110.032 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 20' ' ' LEU . 5.7 mm-40 -80.55 -43.25 20.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.518 ' N ' ' O ' ' A' ' 21' ' ' LEU . 1.7 mmpt? -58.65 -51.21 70.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.509 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 5.2 mt -57.16 -51.06 74.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.466 ' HD2' ' CD2' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -56.98 -40.32 76.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -60.73 -41.45 95.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.311 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.586 ' CZ ' ' HG3' ' A' ' 32' ' ' LYS . 23.5 t80 -53.71 -47.84 70.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.546 ' O ' ' N ' ' A' ' 33' ' ' LYS . 8.1 mt -51.67 -47.16 63.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -65.19 -19.09 65.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -88.38 -48.69 7.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.586 ' HG3' ' CZ ' ' A' ' 28' ' ' PHE . 3.5 mmmt -81.39 -15.31 55.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' A' ' 29' ' ' LEU . 23.0 mmtt 49.34 65.12 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.53 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -112.54 174.72 5.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.953 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -123.26 -2.6 8.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.408 ' CB ' HD11 ' A' ' 103' ' ' LEU . 0.2 OUTLIER -166.26 155.53 11.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.036 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.585 ' CE1' HD13 ' A' ' 42' ' ' LEU . 34.6 p90 -175.73 169.61 2.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.57 ' CD1' HD22 ' A' ' 103' ' ' LEU . 39.8 m-85 -117.38 160.24 21.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -60.66 -30.32 69.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.344 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.414 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 11.1 pt20 -74.61 -41.48 60.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.414 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 9.2 mm-40 -58.9 -14.9 10.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.257 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.585 HD13 ' CE1' ' A' ' 37' ' ' PHE . 9.2 mt -99.35 -23.57 15.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.461 ' HA ' ' CE2' ' A' ' 80' ' ' PHE . 23.7 mt-10 -63.31 -15.95 58.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.7 p -100.79 -2.41 32.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.557 HG21 ' CZ ' ' A' ' 28' ' ' PHE . 92.2 t -87.69 91.46 3.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.08 -52.0 12.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.6 m -43.82 -27.56 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.989 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.439 ' HG ' ' CG1' ' A' ' 45' ' ' VAL . 24.5 mt -94.4 -59.76 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.633 ' O ' ' N ' ' A' ' 53' ' ' SER . 13.1 mm-40 -44.42 -48.38 9.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.06 -22.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.611 ' CD2' ' CD2' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -98.58 -66.32 0.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.473 ' CB ' HD12 ' A' ' 21' ' ' LEU . . . -54.28 -38.38 65.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.633 ' N ' ' O ' ' A' ' 49' ' ' GLN . 8.5 t -61.38 -24.07 66.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.029 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.563 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 44.2 mtt180 -45.97 153.69 0.64 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.439 ' O ' ' CB ' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.97 171.23 18.72 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.52 1.8 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.509 ' CG2' ' HA ' ' A' ' 13' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.6 t -48.45 -66.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 109.321 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -47.42 -49.76 24.34 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.43 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 1.9 mp0 -47.01 -27.52 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.343 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.533 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 44.4 mtt85 -87.27 -43.82 11.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.464 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 12.4 t -66.46 -32.29 57.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.49 ' CD1' HD11 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -74.12 -46.64 41.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 110.949 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.466 ' CD ' ' HA ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -66.95 -38.85 86.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 78' ' ' ARG . 90.1 m-20 -71.66 -47.23 55.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.532 ' CB ' HD13 ' A' ' 21' ' ' LEU . . . -52.17 -42.67 63.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 34.7 mt -61.01 -35.51 77.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.78 -55.14 38.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -46.18 -38.9 8.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.533 ' CD2' ' O ' ' A' ' 22' ' ' SER . 61.9 mt -66.89 -43.16 84.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.43 ' HG3' ' CG2' ' A' ' 93' ' ' VAL . 10.3 mt-30 -66.78 -15.58 63.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -92.33 -26.49 18.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -87.06 -29.75 21.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 107.39 10.58 27.16 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.466 ' CD2' ' HD2' ' A' ' 26' ' ' LYS . 2.4 mt -70.89 -45.5 64.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.43 ' CG2' ' HG3' ' A' ' 88' ' ' GLN . 2.8 m -128.23 172.96 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.59 ' CE2' ' CB ' ' A' ' 105' ' ' TYR . 8.2 p90 -162.18 143.67 10.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -111.1 118.17 35.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.2 mmp_? -87.16 51.4 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 166.57 100.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 m -55.39 102.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.969 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -179.07 134.09 2.23 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.6 m -81.23 52.89 1.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 110.049 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -177.28 37.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -117.53 179.33 4.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.576 HD12 ' CD1' ' A' ' 105' ' ' TYR . 1.7 tm? -86.03 132.62 34.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.413 ' N ' HD13 ' A' ' 103' ' ' LEU . 64.4 m-85 -93.53 117.72 30.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.59 ' CB ' ' CE2' ' A' ' 94' ' ' PHE . 23.0 m-30 -92.29 135.56 33.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -100.56 149.07 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.389 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.462 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 0.2 OUTLIER -167.69 152.24 6.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.489 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -38.38 -31.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.446 ' N ' ' C ' ' A' ' 13' ' ' ASP . . . -82.92 -49.54 9.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -60.5 -54.21 39.07 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.701 ' CD1' ' CD2' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -58.74 -35.32 72.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.414 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 1.2 m -64.85 -54.52 29.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.407 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 18' ' ' THR . 10.5 t -38.17 -35.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.989 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 tp -74.7 -58.77 3.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.518 ' CD2' ' CB ' ' A' ' 52' ' ' ALA . 46.2 tp -40.31 -49.71 2.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.167 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.43 ' O ' HD21 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -43.12 -55.19 4.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.45 -33.39 72.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.481 ' HG3' ' CD1' ' A' ' 51' ' ' LEU . 4.2 mmtt -63.88 -38.61 91.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.465 ' CD1' ' HG ' ' A' ' 21' ' ' LEU . 3.6 mt -73.41 -45.89 50.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.492 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -58.47 -37.98 76.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.492 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 3.4 mm-40 -68.48 -42.92 77.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.592 ' CZ ' ' HG3' ' A' ' 32' ' ' LYS . 73.6 t80 -50.11 -50.65 47.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 111.045 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.601 HD22 ' CE1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -47.04 -45.54 21.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -67.14 -26.0 66.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.33 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 28' ' ' PHE . 2.9 tp10 -77.27 -44.32 30.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.592 ' HG3' ' CZ ' ' A' ' 28' ' ' PHE . 3.1 mmmt -83.17 -20.9 33.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.9 OUTLIER 61.14 62.59 1.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.568 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -120.51 174.79 6.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -125.35 1.95 7.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.3 p -166.84 151.11 7.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.004 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.601 ' CE1' HD22 ' A' ' 29' ' ' LEU . 37.0 p90 -177.04 162.13 1.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.774 ' CD2' ' HA ' ' A' ' 103' ' ' LEU . 63.5 m-85 -112.61 152.95 28.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -53.38 -39.29 64.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -60.83 -35.64 77.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -67.35 -14.98 63.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.574 HD22 ' CE2' ' A' ' 28' ' ' PHE . 12.3 mt -105.77 -20.8 13.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.432 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 27.4 mt-10 -61.78 -13.2 21.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.7 p -101.41 -3.18 29.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.417 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.4 t -85.85 109.04 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -56.05 -58.96 5.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.8 m -38.83 -35.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 17.5 mt -83.04 -59.56 2.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.567 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.2 mm-40 -46.36 -48.1 18.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.47 -23.81 2.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.701 ' CD2' ' CD1' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -98.06 -55.42 2.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.518 ' CB ' ' CD2' ' A' ' 21' ' ' LEU . . . -63.74 -7.58 8.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.567 ' N ' ' O ' ' A' ' 49' ' ' GLN . 21.9 t -108.22 -19.79 13.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -41.95 158.34 0.2 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.463 ' O ' ' CB ' ' A' ' 56' ' ' VAL . 18.3 Cg_endo -75.09 169.4 22.65 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.536 1.808 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.48 HG12 ' CD2' ' A' ' 17' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 78' ' ' ARG . 60.7 t -46.62 -50.25 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.775 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.08 -44.35 31.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 7.2 mt-30 -61.88 -19.98 63.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 75' ' ' VAL . 6.4 ttt180 -92.65 -16.28 25.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.46 ' CG2' HD23 ' A' ' 14' ' ' LEU . 25.3 t -94.75 -31.2 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -68.59 -45.57 71.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 82' ' ' ASN . 0.1 OUTLIER -64.96 -37.59 88.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.416 ' N ' ' HG3' ' A' ' 81' ' ' LYS . 40.2 m-20 -71.0 -37.55 72.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.401 ' HA ' HD13 ' A' ' 86' ' ' LEU . . . -64.54 -54.45 32.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.575 HD13 ' CE2' ' A' ' 104' ' ' TYR . 38.6 mt -55.4 -45.89 76.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.59 -59.18 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 89' ' ' GLU . 1.2 mp -48.66 -52.1 25.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.478 HD22 ' CD1' ' A' ' 92' ' ' LEU . 40.0 mt -44.54 -43.04 7.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -64.19 -31.62 72.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.262 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 86' ' ' LEU . 0.8 OUTLIER -76.49 -45.71 29.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.468 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 0.4 OUTLIER -67.53 -27.35 66.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.1 23.44 13.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.478 ' CD1' HD22 ' A' ' 87' ' ' LEU . 3.8 mt -83.63 -28.39 28.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.746 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.7 m -144.61 175.31 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 105' ' ' TYR . 17.5 p90 -161.78 147.69 13.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.639 ' NE2' ' CD1' ' A' ' 104' ' ' TYR . 0.9 OUTLIER -94.76 152.55 18.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -126.65 45.3 2.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.525 ' HB2' ' CE ' ' A' ' 102' ' ' LYS . 7.2 t0 -156.77 -68.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.0 t -179.42 32.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.454 ' HA2' ' OE1' ' A' ' 95' ' ' GLN . . . 52.77 -169.06 0.78 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 99' ' ' GLY . 0.3 OUTLIER 57.1 110.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.767 . . . . 0.0 110.022 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.3 t0 46.38 64.67 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.256 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.525 ' CE ' ' HB2' ' A' ' 97' ' ' ASP . 13.9 mmmt -124.68 -178.28 4.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.948 ' O ' ' HB2' ' A' ' 104' ' ' TYR . 5.7 tt -62.47 -74.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.948 ' HB2' ' O ' ' A' ' 103' ' ' LEU . 29.5 m-85 103.2 73.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.599 ' O ' ' CD1' ' A' ' 94' ' ' PHE . 92.7 m-85 -73.7 116.66 14.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.4 p -64.97 151.7 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 92' ' ' LEU . 2.9 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.427 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.597 ' CD1' ' HA3' ' A' ' 16' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER 179.76 140.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.524 ' O ' ' CB ' ' A' ' 18' ' ' THR . 0.1 OUTLIER -37.88 -46.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.353 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.65 -45.95 70.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.597 ' HA3' ' CD1' ' A' ' 12' ' ' LEU . . . -60.27 -51.99 55.46 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.15 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.684 ' CD1' ' CD2' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -68.08 -28.06 67.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 0.787 . . . . 0.0 109.326 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.524 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 1.1 m -63.27 -56.19 18.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 110.423 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 18' ' ' THR . 21.0 t -38.3 -50.27 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.025 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 tp -57.17 -58.14 9.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.519 ' CD2' ' CB ' ' A' ' 52' ' ' ALA . 22.1 tp -43.44 -46.63 6.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.459 ' C ' HD21 ' A' ' 87' ' ' LEU . 3.3 p -43.98 -49.73 8.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.015 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 1.7 mm-40 -65.36 -32.39 74.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.565 ' HB3' ' CD2' ' A' ' 48' ' ' LEU . 3.7 mmtt -64.49 -43.36 94.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.472 ' CD1' ' HG ' ' A' ' 21' ' ' LEU . 4.8 mt -71.06 -45.69 70.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.477 ' HD2' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -59.5 -38.57 81.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 1.2 mm-40 -66.05 -41.34 90.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.664 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 81.6 t80 -55.45 -34.6 64.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.548 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -62.41 -51.05 69.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -65.8 -17.89 64.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -80.32 -49.61 11.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.605 ' HB2' ' SD ' ' A' ' 34' ' ' MET . 61.0 mmtt -83.55 -23.63 31.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' LEU . 4.5 mttt 60.12 66.49 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.605 ' SD ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -112.3 176.2 5.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -122.52 -6.6 8.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.317 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.2 p -168.56 146.51 4.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.51 ' CZ ' HD11 ' A' ' 29' ' ' LEU . 53.5 p90 -171.26 -177.18 2.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.585 ' CZ ' ' CD2' ' A' ' 103' ' ' LEU . 98.4 m-85 -125.41 150.13 47.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.415 1.072 . . . . 0.0 111.048 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.451 ' CG ' ' HB3' ' A' ' 80' ' ' PHE . 41.3 tt0 -53.94 -19.02 3.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -79.09 -14.73 58.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -82.92 -12.22 57.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 110.251 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.664 ' CD1' ' CD2' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -106.56 -21.98 12.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.432 ' O ' ' CD ' ' A' ' 49' ' ' GLN . 1.7 mm-40 -66.88 -21.25 66.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.5 p -85.42 -18.27 34.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.423 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.537 ' HB ' ' CD1' ' A' ' 48' ' ' LEU . 23.7 t -74.9 116.12 17.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 48' ' ' LEU . 1.0 OUTLIER -57.81 -64.56 0.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 46' ' ' GLU . 5.5 m -38.78 -29.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.565 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 92.9 mt -81.52 -60.09 2.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.552 ' O ' ' N ' ' A' ' 53' ' ' SER . 1.9 mt-30 -47.13 -45.57 22.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.05 -20.96 2.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.684 ' CD2' ' CD1' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -98.45 -54.65 2.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.519 ' CB ' ' CD2' ' A' ' 21' ' ' LEU . . . -67.02 -4.81 10.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.552 ' N ' ' O ' ' A' ' 49' ' ' GLN . 22.9 t -108.16 -14.65 14.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 2.7 mtt180 -47.03 155.75 0.61 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.515 ' O ' ' CB ' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.99 168.69 24.28 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.523 HG21 ' N ' ' A' ' 14' ' ' LEU . 1.3 p . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.514 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.468 ' HA ' ' CD ' ' A' ' 78' ' ' ARG . 61.4 t -44.67 -40.52 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.535 0.785 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.48 -42.41 98.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.514 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 8.2 mt-30 -53.22 -21.85 5.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.468 ' CD ' ' HA ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -86.25 -32.48 21.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.325 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.473 HG23 ' CD2' ' A' ' 14' ' ' LEU . 4.8 t -77.46 -37.77 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.476 ' CE2' ' CB ' ' A' ' 52' ' ' ALA . 5.5 m-85 -69.33 -48.39 61.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.42 -37.42 85.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.458 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 98.1 m-20 -77.14 -26.34 53.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.03 -54.49 11.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.454 ' CD2' HG22 ' A' ' 25' ' ' ILE . 21.7 mt -55.98 -46.38 78.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.53 -57.49 1.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.458 ' CD1' ' O ' ' A' ' 82' ' ' ASN . 1.0 OUTLIER -52.8 -47.96 67.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.459 HD21 ' C ' ' A' ' 22' ' ' SER . 56.3 mt -48.63 -42.87 35.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 0.0 OUTLIER -66.07 -26.23 67.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 86' ' ' LEU . 1.9 mm-40 -79.58 -26.21 41.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.245 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.4 -28.68 20.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 101.38 24.02 9.16 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.502 1.126 . . . . 0.0 111.052 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.477 ' CD1' ' HD2' ' A' ' 26' ' ' LYS . 4.9 mt -83.91 -41.76 17.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 88' ' ' GLN . 1.0 OUTLIER -137.35 172.97 13.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.654 ' CE1' ' CB ' ' A' ' 105' ' ' TYR . 26.7 p90 -163.88 152.65 13.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.407 ' OE1' ' CE1' ' A' ' 104' ' ' TYR . 9.2 mt-30 -105.97 119.65 39.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.556 ' HG3' ' CE1' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -74.78 -51.82 13.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -89.79 127.5 35.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.66 148.16 20.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.988 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.454 ' CA ' ' HG3' ' A' ' 102' ' ' LYS . . . 126.43 151.96 7.97 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.3 t -68.09 -65.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 0.735 . . . . 0.0 109.993 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -76.58 61.71 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.454 ' HG3' ' CA ' ' A' ' 99' ' ' GLY . 17.9 mmtt -113.77 -179.23 3.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.6 HD11 ' CD1' ' A' ' 105' ' ' TYR . 1.3 tm? -74.02 134.94 43.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.414 ' N ' HD12 ' A' ' 103' ' ' LEU . 63.9 m-85 -109.54 92.11 3.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.654 ' CB ' ' CE1' ' A' ' 94' ' ' PHE . 38.5 m-85 -71.08 142.05 50.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 111.008 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -101.55 155.81 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 11.8 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.429 ' C ' HG21 ' A' ' 56' ' ' VAL . 17.5 t70 -171.09 159.39 5.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.506 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -40.05 -43.38 1.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.2 -49.55 23.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.6 -58.54 11.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.135 . . . . 0.0 111.025 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.733 ' CD1' ' CD2' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -60.26 -33.74 72.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 0.77 . . . . 0.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.5 ' OG1' ' CG1' ' A' ' 79' ' ' VAL . 1.2 m -63.73 -51.13 66.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.372 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 18' ' ' THR . 30.9 t -36.96 -37.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.026 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.407 ' HG ' ' CD1' ' A' ' 51' ' ' LEU . 3.1 tp -73.9 -55.47 6.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 52' ' ' ALA . 7.2 tp -40.32 -49.02 2.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.459 ' OG ' ' N ' ' A' ' 23' ' ' GLU . 1.3 p -37.72 -61.89 0.59 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.015 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.46 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 4.7 mt-10 -55.89 -42.4 75.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 110.34 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.522 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . 36.7 mmtt -53.39 -41.49 65.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.473 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 3.4 mt -73.05 -57.02 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.478 ' HB2' ' HG ' ' A' ' 92' ' ' LEU . 0.6 OUTLIER -50.83 -36.14 35.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 23' ' ' GLU . 3.2 mm-40 -70.31 -39.89 74.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.551 ' CD2' HD21 ' A' ' 42' ' ' LEU . 53.4 t80 -57.42 -25.92 60.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.563 HD23 ' CE2' ' A' ' 37' ' ' PHE . 8.5 mt -75.34 -47.81 25.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -64.74 -11.19 33.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -94.22 -48.39 6.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.354 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.439 ' HB2' ' CG ' ' A' ' 34' ' ' MET . 62.3 mmtt -81.95 -13.36 57.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' LEU . 14.0 mmtt 52.5 62.67 2.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.439 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -114.71 171.67 7.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 110.988 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -131.45 9.87 4.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.7 p -167.4 143.2 4.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.985 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.563 ' CE2' HD23 ' A' ' 29' ' ' LEU . 14.1 p90 -177.63 161.79 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.577 ' CE2' ' CD2' ' A' ' 103' ' ' LEU . 58.5 m-85 -111.46 157.71 19.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.505 ' OE1' ' CB ' ' A' ' 81' ' ' LYS . 28.6 tt0 -61.0 -29.22 69.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -70.76 -31.89 68.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.3 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -68.34 -17.81 64.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.551 HD21 ' CD2' ' A' ' 28' ' ' PHE . 10.4 mt -101.87 -20.82 14.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.48 ' OE2' ' CD2' ' A' ' 80' ' ' PHE . 5.3 mm-40 -67.59 -24.35 65.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.6 p -96.62 6.93 47.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.432 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.577 HG11 ' CD2' ' A' ' 48' ' ' LEU . 85.8 t -92.48 127.96 44.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 47' ' ' SER . 13.6 mm-40 -62.84 -63.0 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -35.05 -52.88 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.611 ' HB3' ' CE1' ' A' ' 80' ' ' PHE . 1.6 mm? -64.7 -66.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.58 ' O ' ' N ' ' A' ' 53' ' ' SER . 3.3 mm-40 -39.77 -53.02 2.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 110.35 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.96 -27.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.733 ' CD2' ' CD1' ' A' ' 17' ' ' LEU . 2.1 tt -98.91 -60.53 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.473 ' HB3' ' CD2' ' A' ' 21' ' ' LEU . . . -54.23 -14.38 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.58 ' N ' ' O ' ' A' ' 49' ' ' GLN . 24.4 p -91.39 -17.6 25.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.04 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.516 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.5 OUTLIER -47.23 152.46 1.07 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.465 ' O ' ' CB ' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.03 168.46 24.78 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.476 HG13 ' CD2' ' A' ' 17' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 109.279 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.521 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.477 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 9.1 p -38.52 -55.12 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 109.314 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -53.8 -45.19 70.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.521 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 7.2 mt-30 -52.45 -26.31 12.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.477 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -82.82 -31.31 28.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.277 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.5 ' CG1' ' OG1' ' A' ' 18' ' ' THR . 16.0 t -82.42 -36.93 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.611 ' CE1' ' HB3' ' A' ' 48' ' ' LEU . 6.3 m-85 -66.01 -50.2 65.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.505 ' CB ' ' OE1' ' A' ' 39' ' ' GLN . 0.1 OUTLIER -63.68 -42.84 97.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.467 ' CB ' HG21 ' A' ' 18' ' ' THR . 62.4 m-20 -62.21 -46.74 87.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.473 ' HB1' ' CD1' ' A' ' 25' ' ' ILE . . . -52.82 -43.98 66.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.523 HD13 ' CZ ' ' A' ' 104' ' ' TYR . 25.5 mt -59.67 -38.48 81.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.72 -57.29 12.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 110.268 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.04 -42.33 72.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.459 ' CD1' HG21 ' A' ' 25' ' ' ILE . 6.0 mt -51.52 -48.47 62.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 5.2 mt-30 -59.17 -27.12 65.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -82.91 -27.31 30.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.508 ' CB ' ' CD2' ' A' ' 92' ' ' LEU . 5.3 mttm -87.64 -3.38 58.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.23 13.13 81.34 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.508 ' CD2' ' CB ' ' A' ' 90' ' ' LYS . 4.3 mm? -67.56 -54.46 19.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 0.79 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 88' ' ' GLN . 5.3 m -128.72 180.0 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 105' ' ' TYR . 10.7 p90 -162.36 142.94 10.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.147 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.403 ' NE2' ' O ' ' A' ' 99' ' ' GLY . 81.3 mt-30 -101.2 136.7 40.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -96.3 -62.12 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.461 ' CB ' ' HE3' ' A' ' 102' ' ' LYS . 33.4 m-20 -73.73 -18.56 60.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.3 m 61.97 135.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.403 ' O ' ' NE2' ' A' ' 95' ' ' GLN . . . 148.36 152.77 5.78 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.461 1.1 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.4 m -87.92 46.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 110.032 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -178.44 42.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.461 ' HE3' ' CB ' ' A' ' 97' ' ' ASP . 9.3 mmmt -130.13 158.01 40.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.577 ' CD2' ' CE2' ' A' ' 38' ' ' TYR . 1.7 tm? -60.8 133.75 56.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.523 ' CZ ' HD13 ' A' ' 84' ' ' LEU . 68.7 m-85 -94.6 112.23 23.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.575 ' CD1' HD12 ' A' ' 103' ' ' LEU . 19.8 m-30 -85.91 129.85 34.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.492 ' CG1' ' CD1' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -80.89 164.7 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 92' ' ' LEU . 5.0 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.388 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.554 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 12.6 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.554 ' CB ' ' O ' ' A' ' 12' ' ' LEU . 3.8 m-20 86.33 157.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.491 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -37.33 -35.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.413 ' O ' ' HB ' ' A' ' 18' ' ' THR . . . -77.84 -53.26 7.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -57.7 -55.96 27.71 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.511 ' CD2' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -56.99 -30.03 63.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.48 ' CG2' ' HB3' ' A' ' 82' ' ' ASN . 0.9 OUTLIER -66.01 -59.62 3.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.431 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.4 ' N ' HG21 ' A' ' 18' ' ' THR . 23.0 t -43.14 -29.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.48 ' CD1' HD21 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -77.94 -53.43 7.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 24' ' ' LYS . 11.8 tp -44.08 -45.18 7.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.505 ' HB2' ' CD1' ' A' ' 87' ' ' LEU . 10.8 p -43.7 -51.86 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 3.1 mt-10 -63.32 -28.46 70.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.508 ' HB3' ' CD2' ' A' ' 48' ' ' LEU . 23.9 mmtt -71.3 -38.63 71.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.476 ' CG2' ' CD1' ' A' ' 42' ' ' LEU . 4.1 mt -76.18 -44.59 36.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.511 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -56.99 -40.09 75.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.331 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.511 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 3.4 mm-40 -64.41 -40.44 95.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.599 ' CE2' ' HG3' ' A' ' 32' ' ' LYS . 56.3 t80 -59.36 -34.8 72.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.551 ' HA ' ' SD ' ' A' ' 34' ' ' MET . 0.1 OUTLIER -61.11 -47.57 85.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -72.72 -15.72 61.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -83.63 -40.5 18.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.599 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 14.6 mmtp -93.54 -23.05 18.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' LEU . 62.1 mmtt 58.45 67.25 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.569 ' SD ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -109.93 175.98 5.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.943 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -126.38 -1.51 6.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.7 p -169.47 142.23 2.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.529 ' CZ ' HD23 ' A' ' 29' ' ' LEU . 27.8 p90 -169.78 163.41 9.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.541 ' CE2' HD23 ' A' ' 103' ' ' LEU . 42.5 m-85 -111.13 156.0 22.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.523 ' OE1' ' CB ' ' A' ' 81' ' ' LYS . 12.9 tt0 -54.34 -32.55 57.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.417 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 5.3 pt20 -71.66 -41.59 68.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.417 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 3.1 mm-40 -55.65 -18.41 7.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.476 ' CD1' ' CG2' ' A' ' 25' ' ' ILE . 10.4 mt -99.9 -20.94 15.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.431 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 1.0 OUTLIER -68.28 -9.01 44.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.5 p -94.95 -9.35 34.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.396 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.445 HG13 ' CD1' ' A' ' 28' ' ' PHE . 23.6 t -80.72 100.62 5.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -47.69 -58.96 3.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 110.336 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.8 m -40.5 -42.31 1.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.508 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 85.1 mt -73.25 -56.13 5.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.0 mt-30 -46.19 -42.48 14.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.59 -24.46 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.48 HD21 ' CD1' ' A' ' 20' ' ' LEU . 4.0 tp -99.1 -47.19 5.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.443 ' O ' ' HA ' ' A' ' 76' ' ' ALA . . . -68.58 -3.01 10.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' GLN . 30.0 t -109.41 -12.56 14.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 0.0 110.033 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -41.03 152.98 0.24 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.355 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.523 ' O ' ' C ' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.02 -29.98 7.62 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.496 1.787 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.544 ' CG2' ' HA ' ' A' ' 13' ' ' ASP . 1.2 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.482 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.448 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 58.2 t -43.9 -45.09 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 0.787 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.443 ' HA ' ' O ' ' A' ' 52' ' ' ALA . . . -60.0 -40.94 90.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.352 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.494 ' NE2' ' NE2' ' A' ' 39' ' ' GLN . 5.0 mm-40 -57.83 -23.2 51.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 0.1 OUTLIER -83.58 -31.08 26.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.9 t -80.36 -39.71 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.489 ' HB3' ' CG ' ' A' ' 39' ' ' GLN . 2.1 m-85 -66.96 -59.03 3.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.523 ' CB ' ' OE1' ' A' ' 39' ' ' GLN . 2.4 ptpt -48.79 -37.98 20.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.378 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.48 ' HB3' ' CG2' ' A' ' 18' ' ' THR . 92.6 m-20 -65.88 -52.19 52.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.462 ' O ' HD22 ' A' ' 87' ' ' LEU . . . -41.05 -64.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.59 ' HB3' ' CE1' ' A' ' 104' ' ' TYR . 3.8 mm? -38.25 -49.16 1.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.47 -49.13 56.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 83' ' ' ALA . 3.0 mm? -58.18 -55.4 35.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.565 HD11 ' N ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -44.22 -56.79 3.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.153 . . . . 0.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.492 ' HG2' ' CG2' ' A' ' 93' ' ' VAL . 0.2 OUTLIER -54.87 -30.17 57.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 110.277 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 86' ' ' LEU . 65.4 mm-40 -77.7 -25.54 49.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.22 -29.04 16.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 107' ' ' THR . . . 103.79 22.04 9.22 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.478 ' CD1' HD13 ' A' ' 87' ' ' LEU . 3.7 mt -83.33 -37.59 23.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.492 ' CG2' ' HG2' ' A' ' 88' ' ' GLN . 3.8 m -139.76 175.28 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 105' ' ' TYR . 25.9 p90 -164.45 151.5 11.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.971 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.614 ' CD ' ' CE1' ' A' ' 104' ' ' TYR . 58.8 mt-30 -114.72 127.13 55.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.571 ' HG3' ' CE2' ' A' ' 105' ' ' TYR . 0.5 OUTLIER -91.67 48.63 1.48 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 98' ' ' SER . 0.6 OUTLIER 173.32 89.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 97' ' ' ASP . 1.0 OUTLIER -37.83 106.61 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.973 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -175.47 168.46 40.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.26 -56.97 3.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -86.92 68.84 10.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -128.11 159.69 34.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.541 HD23 ' CE2' ' A' ' 38' ' ' TYR . 1.7 tm? -69.76 131.12 44.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.614 ' CE1' ' CD ' ' A' ' 95' ' ' GLN . 53.0 m-85 -97.93 111.68 23.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.578 ' HB2' ' CE1' ' A' ' 94' ' ' PHE . 33.1 m-85 -88.18 144.02 26.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.45 ' O ' ' CE2' ' A' ' 94' ' ' PHE . 1.3 t -76.15 162.11 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 92' ' ' LEU . 13.5 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.375 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.505 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 22.5 t70 174.24 154.69 0.12 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.505 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -40.59 -29.73 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.45 ' N ' ' C ' ' A' ' 13' ' ' ASP . . . -91.47 -41.03 11.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -64.43 -51.11 55.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.686 ' CD1' ' CD2' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -69.05 -23.8 64.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.46 HG21 ' N ' ' A' ' 19' ' ' SER . 0.9 OUTLIER -66.03 -60.87 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 110.362 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.46 ' N ' HG21 ' A' ' 18' ' ' THR . 24.6 t -37.76 -36.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.965 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.532 ' CD2' ' C ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -68.99 -55.73 9.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.5 HD21 ' CB ' ' A' ' 52' ' ' ALA . 16.4 tp -45.36 -50.14 12.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.491 ' HB2' ' CD1' ' A' ' 87' ' ' LEU . 4.9 p -41.54 -50.87 4.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.986 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 7.0 mt-10 -62.5 -33.68 75.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 21' ' ' LEU . 2.2 mmpt? -66.12 -44.42 84.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.472 HG21 ' CD1' ' A' ' 42' ' ' LEU . 7.3 mt -72.33 -53.88 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.38 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.522 ' HD2' ' CD1' ' A' ' 92' ' ' LEU . 1.5 pttm -47.41 -37.4 11.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 23' ' ' GLU . 2.5 mm-40 -68.81 -43.0 76.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.462 ' CE1' ' HE3' ' A' ' 32' ' ' LYS . 62.1 t80 -56.96 -21.03 27.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 111.04 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.561 ' CD2' ' CE2' ' A' ' 37' ' ' PHE . 11.6 mt -81.22 -48.24 12.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -65.22 -10.47 31.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -94.54 -50.4 5.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.462 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 16.7 mmtp -82.34 -18.16 43.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.51 ' N ' ' O ' ' A' ' 29' ' ' LEU . 1.2 mttt 50.28 67.44 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.523 ' SD ' ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -102.1 170.96 7.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 0.0 110.98 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -120.56 -7.3 9.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.37 143.14 2.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.98 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.561 ' CE2' ' CD2' ' A' ' 29' ' ' LEU . 8.5 p90 -169.26 171.96 7.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.572 ' CE2' HD23 ' A' ' 103' ' ' LEU . 37.4 m-85 -115.68 151.29 35.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.483 ' HB2' ' CE2' ' A' ' 104' ' ' TYR . 2.3 tt0 -57.2 -34.65 68.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.278 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.464 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 5.6 pt20 -67.17 -44.04 80.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.464 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 4.9 mm-40 -52.66 -21.73 4.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.472 ' CD1' HG21 ' A' ' 25' ' ' ILE . 12.4 mt -94.8 -23.0 17.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.536 ' HA ' ' CZ ' ' A' ' 80' ' ' PHE . 1.5 mm-40 -65.19 -11.88 45.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.4 p -93.32 -9.57 38.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.399 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.1 t -83.84 119.48 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 47' ' ' SER . 0.1 OUTLIER -60.12 -60.12 4.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 110.293 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' GLU . 64.7 m -38.36 -36.82 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.979 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 44.3 mt -79.83 -60.65 2.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.558 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.1 mt-30 -45.84 -47.3 15.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.258 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.65 -22.09 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.686 ' CD2' ' CD1' ' A' ' 17' ' ' LEU . 1.2 tt -98.73 -57.83 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.308 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.5 ' CB ' HD21 ' A' ' 21' ' ' LEU . . . -61.23 -11.51 9.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.558 ' N ' ' O ' ' A' ' 49' ' ' GLN . 55.6 m -95.62 -21.43 18.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.522 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 3.4 mtt180 -44.56 154.79 0.4 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.45 ' O ' ' CB ' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.02 170.33 20.66 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.505 ' CG2' ' HA ' ' A' ' 13' ' ' ASP . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.508 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.45 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 11.7 p -43.37 -53.65 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.431 ' N ' ' CG1' ' A' ' 75' ' ' VAL . . . -58.37 -36.64 73.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.508 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 8.8 mt-30 -60.84 -19.22 59.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.457 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 3.5 mpt_? -88.91 -34.27 17.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.449 HG23 ' CD2' ' A' ' 14' ' ' LEU . 22.1 t -76.8 -37.61 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.536 ' CZ ' ' HA ' ' A' ' 43' ' ' GLU . 1.7 m-85 -66.06 -60.61 2.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.96 -37.47 44.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 78' ' ' ARG . 90.0 m-20 -65.26 -51.73 58.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.457 ' O ' HD22 ' A' ' 87' ' ' LEU . . . -41.33 -64.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.588 ' HB3' ' CE1' ' A' ' 104' ' ' TYR . 3.9 mm? -38.15 -50.4 1.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.41 ' NE2' ' HA ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -48.28 -52.3 21.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' A' ' 89' ' ' GLU . 3.0 mm? -55.93 -57.47 11.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.589 HD11 ' N ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -43.21 -58.81 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.484 ' HG2' ' CG2' ' A' ' 93' ' ' VAL . 0.0 OUTLIER -51.02 -40.98 59.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 86' ' ' LEU . 2.1 mt-10 -63.16 -25.3 68.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.48 -30.23 15.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.411 ' O ' ' CB ' ' A' ' 107' ' ' THR . . . 105.23 21.33 8.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.522 ' CD1' ' HD2' ' A' ' 26' ' ' LYS . 2.4 mt -80.51 -41.85 23.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.484 ' CG2' ' HG2' ' A' ' 88' ' ' GLN . 5.6 m -136.41 172.98 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.569 ' CD1' ' HB2' ' A' ' 105' ' ' TYR . 32.7 p90 -163.61 150.52 12.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.576 ' CD ' ' CE1' ' A' ' 104' ' ' TYR . 69.2 mt-30 -120.85 121.23 37.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -75.61 -50.02 16.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.24 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -84.28 107.68 16.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.87 114.02 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 170.81 130.08 1.18 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.2 t -52.88 -48.48 67.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 0.737 . . . . 0.0 110.035 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -88.35 61.08 6.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -123.96 166.9 14.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.596 HD12 ' CE1' ' A' ' 105' ' ' TYR . 1.6 tm? -78.22 131.63 37.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.588 ' CE1' ' HB3' ' A' ' 84' ' ' LEU . 59.7 m-85 -94.52 120.42 34.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.596 ' CE1' HD12 ' A' ' 103' ' ' LEU . 19.8 m-85 -93.51 139.19 31.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -83.24 164.18 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 92' ' ' LEU . 2.7 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 110.417 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.426 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.568 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 4.9 m-20 -178.14 161.68 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -41.78 -34.58 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.61 -33.42 13.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -65.5 -46.34 85.65 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.624 ' CD1' ' CD2' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -72.68 -42.95 63.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 0.751 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.497 ' OG1' ' CG1' ' A' ' 79' ' ' VAL . 1.3 m -50.02 -51.22 43.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.4 ' O ' ' OG ' ' A' ' 22' ' ' SER . 2.3 t -39.99 -38.5 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.463 ' HG ' ' CD1' ' A' ' 51' ' ' LEU . 1.4 tp -70.65 -56.52 6.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.58 ' O ' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -40.17 -50.44 2.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 21' ' ' LEU . 43.9 p -33.61 -58.53 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.05 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 5.4 mm-40 -59.8 -39.02 83.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.58 ' N ' ' O ' ' A' ' 21' ' ' LEU . 3.8 mmpt? -61.8 -48.78 79.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.541 ' CD1' ' CD1' ' A' ' 21' ' ' LEU . 5.3 mt -68.86 -40.95 81.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.348 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.49 ' HD2' ' CD2' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -64.97 -40.42 94.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 23' ' ' GLU . 1.4 mm-40 -61.2 -38.67 87.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 110.329 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.703 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 89.0 t80 -57.7 -37.75 74.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.539 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -59.8 -48.62 80.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -70.42 -16.55 62.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.286 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.77 -40.68 22.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.582 ' HB2' ' SD ' ' A' ' 34' ' ' MET . 13.3 mmtp -94.54 -23.5 17.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' A' ' 29' ' ' LEU . 5.8 mttt 59.23 67.55 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.582 ' SD ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -112.38 173.86 6.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 111.038 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -120.97 -5.49 9.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.478 ' CB ' HD12 ' A' ' 103' ' ' LEU . 0.2 OUTLIER -168.82 138.53 2.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.465 ' CE1' HD23 ' A' ' 42' ' ' LEU . 33.1 p90 -162.19 -174.75 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.662 ' CE2' ' CD2' ' A' ' 103' ' ' LEU . 97.5 m-85 -127.79 149.45 50.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.517 ' CG ' ' HB3' ' A' ' 80' ' ' PHE . 41.0 tt0 -54.5 -18.82 4.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -80.57 -13.72 58.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.31 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -82.41 -12.28 58.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.703 ' CD1' ' CD2' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -105.02 -21.73 13.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.483 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 1.2 mt-10 -68.87 -17.97 64.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.9 p -88.76 -16.65 31.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 110.409 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.518 HG23 ' CE1' ' A' ' 28' ' ' PHE . 21.7 t -80.63 113.3 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' LEU . 1.5 mt-10 -54.44 -62.99 1.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.1 m -39.09 -31.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.011 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.521 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 81.1 mt -82.98 -61.02 1.97 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.0 mm-40 -46.5 -47.05 19.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.96 -20.93 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.624 ' CD2' ' CD1' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -98.69 -54.72 2.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.493 ' HB3' ' CE2' ' A' ' 80' ' ' PHE . . . -65.82 -6.09 10.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 49' ' ' GLN . 49.9 m -104.84 -21.64 13.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 2.3 mtt180 -40.11 156.5 0.17 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.478 ' C ' ' CG2' ' A' ' 56' ' ' VAL . 18.3 Cg_endo -75.01 165.55 31.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.791 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.568 ' CG1' ' HA ' ' A' ' 13' ' ' ASP . 1.5 t . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.427 ' CG1' ' N ' ' A' ' 76' ' ' ALA . 14.7 p -56.61 -55.68 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.427 ' N ' ' CG1' ' A' ' 75' ' ' VAL . . . -60.53 -34.85 74.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -57.9 -19.73 31.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.525 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 67.1 mtt180 -89.78 -35.96 15.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.497 ' CG1' ' OG1' ' A' ' 18' ' ' THR . 7.1 t -72.88 -41.01 60.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.517 ' HB3' ' CG ' ' A' ' 39' ' ' GLN . 2.2 m-85 -65.89 -37.26 85.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 111.034 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.51 ' CB ' ' OE1' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -78.57 -39.57 37.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' A' ' 78' ' ' ARG . 92.7 m-20 -74.27 -27.25 60.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.513 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . . . -71.17 -33.84 70.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.46 HD11 ' CE2' ' A' ' 104' ' ' TYR . 16.5 mt -72.32 -43.38 64.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.428 ' O ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -43.02 -52.7 5.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.336 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.412 ' CD1' HG21 ' A' ' 18' ' ' THR . 1.2 mp -55.27 -46.48 76.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' A' ' 26' ' ' LYS . 86.8 mt -49.76 -40.04 39.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.435 ' OE1' ' CA ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -66.86 -28.73 68.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.263 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -75.39 -28.7 59.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -85.05 -30.64 23.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.82 18.25 12.94 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.49 ' CD2' ' HD2' ' A' ' 26' ' ' LYS . 1.4 mt -76.91 -45.88 26.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 0.739 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.424 ' CG2' ' OE1' ' A' ' 88' ' ' GLN . 1.3 m -133.08 176.19 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.59 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 11.5 p90 -162.94 153.15 16.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.528 ' NE2' ' CE2' ' A' ' 104' ' ' TYR . 15.6 mm-40 -117.25 140.79 49.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -103.53 -67.49 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.243 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.461 ' O ' ' O ' ' A' ' 98' ' ' SER . 0.3 OUTLIER -85.93 76.21 9.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.461 ' O ' ' O ' ' A' ' 97' ' ' ASP . 30.7 m 35.6 92.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.49 ' HA3' ' CG ' ' A' ' 95' ' ' GLN . . . -61.45 -134.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.556 ' O ' ' CB ' ' A' ' 101' ' ' ASP . 20.9 t 70.16 23.46 5.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 109.982 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 100' ' ' SER . 1.0 OUTLIER 152.33 -23.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.471 ' HB3' ' HA2' ' A' ' 99' ' ' GLY . 4.9 tppt? -78.52 152.34 32.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.662 ' CD2' ' CE2' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -37.11 122.91 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.528 ' CE2' ' NE2' ' A' ' 95' ' ' GLN . 51.2 m-85 -94.93 112.14 23.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.59 ' HB3' ' CZ ' ' A' ' 94' ' ' PHE . 20.6 m-30 -78.24 128.42 33.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -105.52 153.52 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.408 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.7 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.539 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 17.6 t70 -156.16 156.49 34.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.499 ' N ' ' CG1' ' A' ' 56' ' ' VAL . 0.2 OUTLIER -42.71 -36.3 1.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.38 -46.78 19.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.06 -54.48 37.08 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.46 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -58.52 -42.17 87.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.475 ' CG2' ' HB3' ' A' ' 82' ' ' ASN . 1.2 m -56.31 -58.93 5.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.391 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 18' ' ' THR . 7.4 t -36.89 -38.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.029 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 21' ' ' LEU . 1.9 tp -70.13 -57.98 4.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.549 ' HA ' ' CD2' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -37.71 -55.04 1.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.523 ' CA ' HD12 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -37.6 -54.85 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.006 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.486 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 6.0 mt-10 -62.37 -35.36 78.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.346 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.535 ' N ' ' O ' ' A' ' 21' ' ' LEU . 23.6 mmtt -66.77 -53.17 35.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.61 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 13.1 mt -59.64 -47.79 89.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.502 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -55.84 -39.88 72.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.502 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 3.3 mm-40 -60.49 -40.61 91.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.594 ' CE1' ' HE3' ' A' ' 32' ' ' LYS . 58.6 t80 -58.53 -38.81 78.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.515 ' N ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -56.87 -49.27 76.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -73.09 -15.46 61.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.32 -38.23 22.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.594 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 12.7 mmtp -96.02 -23.68 16.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' LEU . 3.9 mptt 59.07 67.0 0.96 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.548 ' SD ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -109.56 176.23 5.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -122.27 -6.6 8.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.294 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 p -168.51 148.37 4.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.983 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.486 ' CE2' ' CD1' ' A' ' 29' ' ' LEU . 31.1 p90 -174.31 171.69 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.592 ' CE2' ' CD2' ' A' ' 103' ' ' LEU . 51.9 m-85 -116.32 148.31 40.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.521 ' CG ' ' HB3' ' A' ' 80' ' ' PHE . 2.9 tt0 -50.13 -35.48 26.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -68.98 -40.36 78.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.419 ' CG ' ' HB2' ' A' ' 38' ' ' TYR . 4.5 mm-40 -56.04 -18.15 8.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.25 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.494 ' CD1' ' CG2' ' A' ' 25' ' ' ILE . 13.6 mt -100.29 -21.52 15.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.51 ' HA ' ' CZ ' ' A' ' 80' ' ' PHE . 0.9 OUTLIER -64.03 -12.2 36.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.3 p -94.28 -6.78 43.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.365 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.569 ' CG2' ' CE1' ' A' ' 28' ' ' PHE . 54.8 t -85.12 104.82 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.22 -52.97 57.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.7 m -46.41 -26.77 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 14.2 mt -93.75 -60.26 1.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 53' ' ' SER . 1.9 mm-40 -42.37 -44.55 3.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.03 -25.7 0.23 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.549 ' CD2' ' HA ' ' A' ' 21' ' ' LEU . 2.6 tp -97.95 -47.23 5.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.519 ' CB ' ' CE2' ' A' ' 80' ' ' PHE . . . -65.35 -6.71 10.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 49' ' ' GLN . 26.5 t -113.59 -12.71 12.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -51.7 158.46 1.57 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.454 ' C ' ' CG2' ' A' ' 56' ' ' VAL . 18.4 Cg_endo -75.0 169.35 22.82 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.539 ' CG1' ' HA ' ' A' ' 13' ' ' ASP . 1.8 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 77' ' ' GLN . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.441 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 48.3 t -43.45 -44.24 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.533 0.784 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.421 ' HA ' ' O ' ' A' ' 52' ' ' ALA . . . -62.51 -40.9 98.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 74' ' ' GLY . 7.5 mt-30 -56.04 -18.04 8.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.471 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -90.39 -33.8 15.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.7 t -78.01 -39.83 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.521 ' HB3' ' CG ' ' A' ' 39' ' ' GLN . 1.7 m-85 -68.69 -57.51 5.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.58 -36.76 56.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.475 ' HB3' ' CG2' ' A' ' 18' ' ' THR . 75.7 m-20 -67.21 -49.57 64.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.61 ' CB ' ' CD1' ' A' ' 25' ' ' ILE . . . -44.49 -63.16 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.479 ' HG ' ' CE2' ' A' ' 104' ' ' TYR . 3.8 mm? -42.09 -51.65 4.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.403 ' HA ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -45.27 -56.26 5.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.354 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 89' ' ' GLU . 1.1 mt -54.75 -54.52 40.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.093 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.619 HD11 ' N ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -42.48 -57.89 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.489 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 0.3 OUTLIER -53.6 -33.11 53.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.325 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 86' ' ' LEU . 2.9 mm-40 -72.78 -30.06 63.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.54 -28.1 22.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 107' ' ' THR . . . 103.14 21.44 10.06 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.503 ' CD1' HD13 ' A' ' 87' ' ' LEU . 7.4 mt -80.25 -39.26 29.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 88' ' ' GLN . 3.3 m -140.12 176.84 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.239 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.692 ' CE1' ' CB ' ' A' ' 105' ' ' TYR . 27.3 p90 -164.76 147.92 8.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.102 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -90.54 140.96 29.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.496 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 1.0 OUTLIER -114.18 65.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.243 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 3.2 m-20 156.79 -24.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 73.3 132.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.042 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 155.13 133.11 1.67 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.12 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 m -45.13 -53.88 7.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 110.009 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -106.45 74.97 1.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.1 mmtm -126.74 177.35 6.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.592 ' CD2' ' CE2' ' A' ' 38' ' ' TYR . 2.0 tm? -76.48 138.79 40.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.479 ' CE2' ' HG ' ' A' ' 84' ' ' LEU . 28.1 m-85 -109.31 126.98 53.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.692 ' CB ' ' CE1' ' A' ' 94' ' ' PHE . 6.0 m-85 -100.43 140.47 34.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.429 ' O ' ' CE2' ' A' ' 94' ' ' PHE . 1.3 t -76.59 160.01 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.476 ' CG2' ' HA ' ' A' ' 92' ' ' LEU . 14.8 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.374 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.51 170.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 110.014 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.4 p -118.84 119.1 33.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.96 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.45 170.04 19.0 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.75 -59.64 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 109.975 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.14 106.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.055 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.09 -174.88 53.82 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -160.06 -58.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 109.344 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -151.01 77.61 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -156.81 109.98 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 56.5 m-20 -86.54 61.86 7.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mt 51.76 177.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.523 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 0.2 OUTLIER -164.03 154.87 15.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.446 ' O ' ' CB ' ' A' ' 18' ' ' THR . 0.8 OUTLIER -40.85 -40.71 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.21 -46.33 20.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.09 -52.18 50.91 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.451 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -66.21 -39.15 89.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.302 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.477 ' OG1' ' CG1' ' A' ' 79' ' ' VAL . 1.5 m -57.97 -57.43 12.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.416 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 18' ' ' THR . 1.8 t -37.83 -38.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.967 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.7 tp -71.08 -54.68 10.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.475 ' HA ' ' CD2' ' A' ' 51' ' ' LEU . 11.5 tp -41.56 -43.68 2.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.499 ' OG ' ' CD2' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -46.54 -56.7 5.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.22 -32.23 72.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.516 ' HB3' ' CD2' ' A' ' 48' ' ' LEU . 24.0 mmtt -62.4 -33.25 74.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 109.277 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.467 HD11 ' CD1' ' A' ' 21' ' ' LEU . 1.8 mp -78.21 -49.46 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.521 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -53.17 -38.59 62.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.521 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 2.0 mm-40 -68.14 -40.75 82.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 110.347 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.588 ' CE2' ' HG3' ' A' ' 32' ' ' LYS . 67.4 t80 -56.56 -39.55 73.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 111.02 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.59 HD21 ' CE1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -59.63 -48.8 80.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -66.72 -13.98 62.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -89.19 -43.76 10.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.267 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.588 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 56.0 mmtt -84.21 -14.43 50.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt 57.84 63.82 1.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.461 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -126.23 163.58 22.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 111.006 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -119.58 6.51 11.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 p -166.45 148.14 6.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.992 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.59 ' CE1' HD21 ' A' ' 29' ' ' LEU . 36.3 p90 -175.76 -176.67 0.87 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.578 ' CE2' HD23 ' A' ' 103' ' ' LEU . 46.4 m-85 -128.3 146.65 50.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 111.053 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.42 ' CG ' ' HB3' ' A' ' 80' ' ' PHE . 3.3 tt0 -52.89 -41.87 64.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -60.74 -39.67 89.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.153 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -59.32 -23.78 62.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.327 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.497 HD11 ' CE2' ' A' ' 37' ' ' PHE . 9.3 mt -93.2 -21.9 19.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 1.4 mt-10 -62.95 -17.72 62.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.2 p -91.04 -9.73 44.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.453 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.508 ' CG2' ' CE1' ' A' ' 28' ' ' PHE . 95.0 t -81.25 94.69 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -43.44 -53.34 5.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.7 m -44.62 -32.0 1.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.516 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 29.7 mt -86.06 -58.33 2.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.0 mt-30 -45.2 -43.84 10.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.41 -24.74 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.475 ' CD2' ' HA ' ' A' ' 21' ' ' LEU . 3.4 tp -99.04 -47.41 5.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.517 ' CB ' ' CE2' ' A' ' 80' ' ' PHE . . . -66.55 -6.08 13.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 49' ' ' GLN . 39.7 t -113.73 -16.65 12.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.424 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -44.95 158.91 0.27 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.25 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.479 ' C ' ' CG2' ' A' ' 56' ' ' VAL . 18.5 Cg_endo -74.94 169.82 21.77 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.523 ' CG1' ' HA ' ' A' ' 13' ' ' ASP . 1.8 t -153.43 -142.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 48.6 p -108.76 46.09 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 110.4 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -96.39 162.76 13.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.598 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 65.1 p -175.23 57.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.031 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.6 p -137.44 -177.41 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.434 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -97.45 65.65 0.88 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.5 m 54.75 -179.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 0.775 . . . . 0.0 110.033 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -99.82 -54.22 2.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 56.46 54.71 7.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 67.7 t -137.73 125.89 31.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 44.08 45.66 6.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.244 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 tp -131.41 138.28 49.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.14 73.54 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.16 -165.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.94 -74.39 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.03 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -39.68 147.92 0.18 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.478 1.111 . . . . 0.0 110.964 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -46.08 128.63 9.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 0.739 . . . . 0.0 110.387 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.0 t -175.62 -54.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.487 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . -42.63 -58.13 3.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 55.0 t -41.42 -46.3 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.54 -44.01 93.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.487 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 6.2 mt-30 -52.63 -23.98 7.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.463 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -85.17 -34.38 22.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.477 ' CG1' ' OG1' ' A' ' 18' ' ' THR . 40.3 t -77.16 -36.32 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.517 ' CE2' ' CB ' ' A' ' 52' ' ' ALA . 2.1 m-85 -70.4 -56.56 6.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 82' ' ' ASN . 0.1 OUTLIER -51.84 -39.53 59.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 78' ' ' ARG . 94.9 m-20 -70.03 -42.61 72.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -49.0 -53.6 19.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.153 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.522 ' HB3' ' CE1' ' A' ' 104' ' ' TYR . 3.7 mm? -55.08 -50.72 68.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -46.19 -58.15 3.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 89' ' ' GLU . 1.5 mt -46.89 -50.65 18.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.499 ' CD2' ' OG ' ' A' ' 22' ' ' SER . 91.5 mt -50.32 -43.34 53.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.423 ' NE2' ' HG3' ' A' ' 95' ' ' GLN . 68.4 mt-30 -66.36 -19.16 65.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -88.92 -24.16 22.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -90.92 -29.04 17.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.02 14.31 23.08 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.476 ' CD2' ' HD2' ' A' ' 26' ' ' LYS . 4.1 mt -76.09 -44.22 39.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 0.732 . . . . 0.0 109.358 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.3 m -128.56 173.04 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.581 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 10.5 p90 -161.97 148.67 13.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.482 ' OE1' ' CB ' ' A' ' 102' ' ' LYS . 3.2 mt-30 -122.84 121.91 37.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.258 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.4 mtp-105 -81.19 -46.63 14.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.147 . . . . 0.0 110.322 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -96.72 115.81 28.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.22 156.32 15.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.976 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 132.11 124.7 2.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.8 p -44.04 -51.85 7.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 110.028 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -87.61 75.35 9.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.482 ' CB ' ' OE1' ' A' ' 95' ' ' GLN . 13.1 mmtt -132.46 159.04 40.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.578 HD23 ' CE2' ' A' ' 38' ' ' TYR . 1.3 tm? -72.73 134.0 44.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.522 ' CE1' ' HB3' ' A' ' 84' ' ' LEU . 33.5 m-85 -98.45 108.83 21.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 94' ' ' PHE . 21.3 m-30 -83.2 117.36 22.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.4 p -87.23 151.87 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.429 HG23 ' N ' ' A' ' 108' ' ' THR . 11.9 t -70.06 -40.5 75.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.41 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.429 ' N ' HG23 ' A' ' 107' ' ' THR . 6.5 t 36.02 45.41 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.376 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.51 84.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.6 t70 179.77 164.24 1.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.1 163.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -166.09 165.47 17.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.4 tp -57.38 153.45 12.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -85.89 148.08 25.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 116' ' ' GLY . 69.1 p -61.44 -59.18 5.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.969 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 115' ' ' SER . . . -37.64 98.39 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.518 1.137 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -41.38 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.772 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 14.9 t 60.01 114.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.975 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.16 -57.03 2.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.956 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.458 1.099 . . . . 0.0 110.963 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.17 140.78 28.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 0.802 . . . . 0.0 110.035 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -64.7 -59.68 3.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.973 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.26 81.24 0.05 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -77.45 86.53 3.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 0.795 . . . . 0.0 110.011 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -178.28 -60.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.981 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.67 78.84 0.06 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 175.18 123.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -118.85 60.27 0.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.251 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -161.77 114.23 1.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -68.65 178.52 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.0 mt -123.96 178.58 5.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.538 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 9.9 t0 -163.13 158.76 22.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.17 . . . . 0.0 109.255 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.434 ' N ' ' CG1' ' A' ' 56' ' ' VAL . 1.0 OUTLIER -40.09 -45.23 1.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.73 -54.16 12.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.99 -53.28 27.5 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.441 1.088 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.494 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -63.02 -39.17 93.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 0.78 . . . . 0.0 109.315 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.467 ' OG1' ' CG1' ' A' ' 79' ' ' VAL . 1.6 m -58.54 -54.94 41.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.405 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 18' ' ' THR . 5.3 t -36.9 -39.72 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.026 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 tp -67.3 -55.45 13.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.331 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.454 ' CD1' HD12 ' A' ' 25' ' ' ILE . 4.4 tp -41.71 -48.87 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.426 ' OG ' ' CD2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -42.58 -60.63 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.003 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.7 -36.7 74.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.523 ' HB3' ' CD2' ' A' ' 48' ' ' LEU . 46.3 mmtt -59.4 -33.52 71.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.461 HG21 ' CD1' ' A' ' 87' ' ' LEU . 1.5 mp -76.19 -53.8 14.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.523 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -47.74 -37.9 14.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.523 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 3.3 mm-40 -68.68 -42.13 78.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.578 ' CE2' ' HG3' ' A' ' 32' ' ' LYS . 71.0 t80 -55.55 -40.76 72.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 111.032 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.587 HD22 ' CZ ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -59.1 -46.33 88.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -66.84 -17.0 64.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -87.39 -46.56 9.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.578 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 42.6 mmtt -81.57 -14.87 56.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER 55.94 64.27 1.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.476 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -127.0 153.81 45.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.148 . . . . 0.0 111.024 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -111.27 9.62 21.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.8 p -167.18 134.07 2.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.587 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 34.7 p90 -163.3 170.71 17.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.967 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.595 ' CE2' ' CD1' ' A' ' 103' ' ' LEU . 25.6 m-85 -117.93 145.67 44.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.946 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.484 ' CG ' ' HB3' ' A' ' 80' ' ' PHE . 2.6 tt0 -52.15 -43.28 63.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -61.54 -37.36 83.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.1 -24.0 67.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.558 HD11 ' CE1' ' A' ' 37' ' ' PHE . 11.4 mt -89.4 -23.22 22.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.523 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 38.0 mt-10 -59.13 -32.26 69.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.259 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.2 p -71.72 -12.52 61.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.407 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.553 HG21 ' CE1' ' A' ' 28' ' ' PHE . 33.4 t -77.35 92.25 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.85 -58.34 2.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.8 m -39.26 -41.68 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.035 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.523 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 75.0 mt -73.83 -54.76 7.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.523 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 2.0 mm-40 -45.29 -43.37 10.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -48.09 -24.96 1.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.428 ' CD2' ' HA ' ' A' ' 21' ' ' LEU . 2.8 tp -98.37 -46.45 5.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.435 ' CB ' ' CE2' ' A' ' 80' ' ' PHE . . . -66.66 -5.75 12.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 49' ' ' GLN . 42.5 t -114.67 -15.52 11.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.963 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -47.32 158.34 0.48 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.454 ' C ' ' CG2' ' A' ' 56' ' ' VAL . 18.3 Cg_endo -75.01 167.83 26.17 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.474 1.776 . . . . 0.0 110.963 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.538 ' CG1' ' HA ' ' A' ' 13' ' ' ASP . 1.8 t -151.74 -142.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.7 p -121.72 58.43 1.01 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.395 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -104.07 158.79 16.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.6 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.1 t -168.23 -51.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 12.7 t -123.01 162.17 22.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 124.93 -169.39 16.89 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.9 m -133.06 168.89 17.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 0.775 . . . . 0.0 109.976 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.55 117.63 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.71 67.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.263 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.5 p -164.22 155.25 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -80.32 62.34 4.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.502 ' O ' ' CG ' ' A' ' 68' ' ' LYS . 0.3 OUTLIER 66.23 137.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.502 ' CG ' ' O ' ' A' ' 67' ' ' LEU . 9.8 mttp 163.72 -66.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -157.5 153.46 27.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 92.7 p -135.45 165.87 24.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.93 -136.79 17.62 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.44 1.088 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.2 p -65.54 169.17 6.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 110.442 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 97.8 p 44.01 67.87 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.982 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.502 ' O ' ' CZ ' ' A' ' 78' ' ' ARG . . . -178.38 -40.49 0.07 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.442 ' CG1' ' N ' ' A' ' 76' ' ' ALA . 13.7 p -61.77 -55.82 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 0.729 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.442 ' N ' ' CG1' ' A' ' 75' ' ' VAL . . . -52.21 -30.55 27.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.435 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 10.3 mt-30 -65.93 -18.04 65.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.502 ' CZ ' ' O ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -91.68 -30.83 16.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 110.285 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.467 ' CG1' ' OG1' ' A' ' 18' ' ' THR . 22.4 t -80.82 -36.03 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.484 ' HB3' ' CG ' ' A' ' 39' ' ' GLN . 1.7 m-85 -70.61 -55.61 8.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -52.65 -39.3 61.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.432 ' N ' ' HG3' ' A' ' 81' ' ' LYS . 80.8 m-20 -70.27 -42.22 72.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.424 ' HB3' ' N ' ' A' ' 22' ' ' SER . . . -49.21 -51.94 29.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.554 ' HB3' ' CE1' ' A' ' 104' ' ' TYR . 3.8 mm? -56.42 -51.41 68.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.71 -56.45 5.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 89' ' ' GLU . 1.6 mt -49.2 -50.85 36.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.478 HD21 ' CD1' ' A' ' 92' ' ' LEU . 86.6 mt -49.71 -44.95 48.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.499 ' HG2' ' CG2' ' A' ' 93' ' ' VAL . 0.1 OUTLIER -65.28 -21.24 66.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.292 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 86' ' ' LEU . 0.8 OUTLIER -86.07 -24.55 26.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.57 -29.63 16.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.39 13.5 24.38 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.496 1.122 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.478 ' CD1' HD21 ' A' ' 87' ' ' LEU . 6.4 mt -75.0 -38.4 61.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.499 ' CG2' ' HG2' ' A' ' 88' ' ' GLN . 4.3 m -137.85 175.0 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 105' ' ' TYR . 39.7 p90 -162.64 152.85 16.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -122.3 133.2 54.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.514 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -108.57 84.58 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.266 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 3.6 m-20 155.63 -24.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.9 t 63.66 147.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.009 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 131.22 178.26 15.36 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.8 p -93.64 -36.52 12.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.764 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.68 62.49 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -133.69 158.38 43.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.595 ' CD1' ' CE2' ' A' ' 38' ' ' TYR . 5.5 tt -77.42 153.42 33.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.554 ' CE1' ' HB3' ' A' ' 84' ' ' LEU . 42.8 m-85 -113.04 113.11 24.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.577 ' HB2' ' CE1' ' A' ' 94' ' ' PHE . 43.4 m-85 -88.89 137.89 31.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -83.89 163.98 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.488 ' CG2' ' N ' ' A' ' 108' ' ' THR . 0.7 OUTLIER -103.93 -165.4 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.398 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.488 ' N ' ' CG2' ' A' ' 107' ' ' THR . 10.0 t 37.99 -156.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.422 ' N ' ' OG1' ' A' ' 108' ' ' THR . 0.0 OUTLIER -136.83 57.13 1.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.519 ' O ' ' C ' ' A' ' 111' ' ' LYS . 4.4 t0 58.52 91.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.519 ' C ' ' O ' ' A' ' 110' ' ' ASP . 0.0 OUTLIER 31.19 72.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -162.41 175.58 11.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.7 mp -45.74 155.86 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -174.12 -174.44 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.334 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.8 p -101.39 75.71 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.013 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 143.58 140.93 3.73 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 60.75 5.51 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.556 1.819 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.15 117.71 29.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.972 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.1 t -176.51 -59.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.063 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.4 p -154.53 145.13 22.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 109.986 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.34 122.14 6.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.5 71.96 0.05 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.504 1.128 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.27 97.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 0.773 . . . . 0.0 110.05 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.43 171.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.987 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.56 157.39 8.06 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 0.0 111.043 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 m120 60.8 105.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 0.752 . . . . 0.0 109.332 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? 65.87 105.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -159.12 116.71 2.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -61.79 173.54 1.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mt -122.25 -177.95 3.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.466 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 0.6 OUTLIER -170.24 150.97 3.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.535 ' HB2' ' CD2' ' A' ' 58' ' ' HIS . 0.3 OUTLIER -36.48 -42.45 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.02 -51.33 22.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.242 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -57.46 -58.38 14.9 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.122 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.697 ' CD1' ' CD2' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -56.12 -31.72 63.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 0.767 . . . . 0.0 109.328 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.472 ' OG1' ' CG1' ' A' ' 79' ' ' VAL . 1.3 m -67.56 -56.46 9.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.392 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 18' ' ' THR . 32.1 t -36.8 -33.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.029 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 18' ' ' THR . 3.0 tp -76.02 -56.19 4.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.49 HD22 ' CB ' ' A' ' 52' ' ' ALA . 27.6 tp -42.16 -48.63 4.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.405 ' C ' HD22 ' A' ' 87' ' ' LEU . 1.4 p -39.44 -52.54 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 1.5 mt-10 -62.69 -38.48 90.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.49 ' HG3' ' CD1' ' A' ' 51' ' ' LEU . 2.7 mmtt -57.67 -41.98 82.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.466 ' CD1' ' HG ' ' A' ' 21' ' ' LEU . 6.3 mt -74.0 -43.6 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.491 ' HD2' ' CD2' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -61.54 -37.53 84.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 1.8 mm-40 -69.62 -30.14 67.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.346 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.6 ' CE1' ' CE ' ' A' ' 32' ' ' LYS . 79.1 t80 -68.41 -43.53 77.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 111.048 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.456 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -54.6 -57.36 11.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -65.95 -11.61 48.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.33 -38.35 13.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.6 ' CE ' ' CE1' ' A' ' 28' ' ' PHE . 68.1 mmtt -88.49 -12.45 42.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 mptt 58.06 59.34 3.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.471 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -119.2 170.15 9.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -126.03 4.82 7.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 p -167.04 153.33 8.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.15 . . . . 0.0 110.009 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.585 ' CE1' ' CD1' ' A' ' 42' ' ' LEU . 11.2 p90 -178.2 170.73 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 59.3 m-85 -116.57 153.01 32.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.952 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -59.15 -23.84 62.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.348 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.483 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 6.0 pt20 -78.01 -45.12 24.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.483 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 9.2 mm-40 -55.4 -20.14 11.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.311 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.585 ' CD1' ' CE1' ' A' ' 37' ' ' PHE . 12.0 mt -98.36 -20.24 17.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.491 ' HA ' ' CZ ' ' A' ' 80' ' ' PHE . 0.9 OUTLIER -68.62 -9.43 49.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.3 p -100.91 -3.8 28.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.423 ' CG1' ' HG ' ' A' ' 48' ' ' LEU . 69.1 t -89.03 105.56 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 48' ' ' LEU . 1.9 mt-10 -48.94 -58.32 5.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 46' ' ' GLU . 29.9 m -38.09 -31.7 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.976 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.48 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 41.9 mt -87.29 -60.44 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.568 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.1 mt-30 -46.68 -47.4 20.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 110.302 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.79 -22.26 2.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 110.027 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.697 ' CD2' ' CD1' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -98.95 -54.62 2.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.49 ' CB ' HD22 ' A' ' 21' ' ' LEU . . . -65.34 -6.72 10.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.568 ' N ' ' O ' ' A' ' 49' ' ' GLN . 19.4 m -106.87 -18.01 14.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.013 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.506 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -44.98 158.35 0.29 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 110.256 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.461 ' O ' ' CB ' ' A' ' 56' ' ' VAL . 18.1 Cg_endo -75.02 168.12 25.53 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.472 1.775 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.466 ' CG2' ' HA ' ' A' ' 13' ' ' ASP . 0.8 OUTLIER 166.77 150.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.5 t -98.81 138.92 35.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.413 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.535 ' CD2' ' HB2' ' A' ' 14' ' ' LEU . 5.2 p80 -167.96 -174.97 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.165 . . . . 0.0 109.575 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.2 p -158.4 159.48 35.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.969 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 98.8 m 64.99 122.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.405 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -117.56 172.23 14.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.42 171.21 11.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.745 . . . . 0.0 109.968 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 62.16 123.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 66' ' ' GLU . 6.1 mp0 -73.61 57.04 0.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.0 p -50.37 93.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 64' ' ' GLN . 29.5 mt-10 -115.29 53.51 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -101.66 148.62 25.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -56.63 176.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 59.96 155.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.35 171.4 14.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.962 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.01 -153.05 17.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 82.3 p -84.4 53.83 2.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 0.769 . . . . 0.0 110.383 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.3 t -125.89 65.52 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.005 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.497 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . -179.1 -56.74 0.08 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 0.0 111.058 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.492 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 14.8 p -40.89 -54.69 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.415 ' N ' ' CG1' ' A' ' 75' ' ' VAL . . . -49.34 -43.04 43.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 4.7 mt-30 -59.12 -22.83 61.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.492 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -87.23 -30.82 20.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.472 ' CG1' ' OG1' ' A' ' 18' ' ' THR . 21.5 t -79.94 -37.61 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.491 ' CZ ' ' HA ' ' A' ' 43' ' ' GLU . 2.1 m-85 -62.0 -57.65 10.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -43.08 73.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 78' ' ' ARG . 88.1 m-20 -63.51 -37.66 88.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.422 ' HB1' ' CD1' ' A' ' 25' ' ' ILE . . . -57.99 -57.47 12.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.488 HD11 ' N ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -54.34 -54.23 43.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.341 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -36.16 -56.52 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.252 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.59 -47.78 78.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 84' ' ' LEU . 90.6 mt -50.18 -41.35 49.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.426 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 0.0 OUTLIER -67.18 -25.97 66.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.67 -23.3 42.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.19 -29.4 16.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.5 25.06 7.92 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.491 ' CD2' ' HD2' ' A' ' 26' ' ' LYS . 2.7 mt -86.51 -35.4 19.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 88' ' ' GLN . 2.4 m -144.75 176.14 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 5.7 p90 -163.75 157.67 19.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 111.0 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -127.28 118.14 23.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 50.2 mtp85 -72.29 -57.39 4.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.65 -20.18 45.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.73 17.66 3.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.976 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -89.62 149.4 20.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.73 -57.13 13.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 0.738 . . . . 0.0 109.974 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -95.34 74.47 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -134.2 -179.59 5.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.588 1.18 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.581 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . 1.4 tm? -85.55 130.71 34.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.448 ' N ' HD13 ' A' ' 103' ' ' LEU . 24.5 m-85 -96.01 120.53 36.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 111.032 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.578 ' CE1' HD12 ' A' ' 103' ' ' LEU . 20.0 m-85 -93.31 123.27 36.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.4 p -92.16 150.63 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.498 ' O ' ' CG2' ' A' ' 108' ' ' THR . 11.0 t -62.03 -44.28 97.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.454 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 107' ' ' THR . 14.9 t 50.3 -165.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.389 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.37 -59.24 2.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -168.13 -42.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.0 tttm 73.07 160.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -94.96 110.13 22.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 64.46 120.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -151.46 175.02 12.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.0 m -64.06 -63.26 1.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 110.047 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -108.44 103.82 1.91 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.135 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 103.2 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.547 1.814 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.9 t -79.91 87.89 5.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.971 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 93.2 p -110.49 153.39 25.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.979 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.446 1.091 . . . . 0.0 111.014 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -167.27 -58.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 110.029 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 p -174.49 166.6 3.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.014 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.7 -171.74 44.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.466 1.104 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.466 ' O ' ' CB ' ' A' ' 6' ' ' SER . 22.6 t 60.71 172.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 0.733 . . . . 0.0 110.0 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 5' ' ' SER . 1.0 OUTLIER 161.89 -70.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 110.009 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.15 78.78 0.42 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 178.49 175.96 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 0.773 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.29 131.04 32.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -134.3 114.1 12.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -54.17 174.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 mt -118.02 -179.14 3.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.454 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 0.5 OUTLIER -167.88 152.39 6.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.47 ' O ' ' CB ' ' A' ' 18' ' ' THR . 0.1 OUTLIER -38.03 -43.59 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.69 -55.08 14.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.62 -60.78 8.28 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.705 ' CD1' ' CD2' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -51.81 -37.01 49.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 0.791 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.47 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 1.8 m -64.19 -55.01 24.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.423 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 18' ' ' THR . 12.2 t -38.37 -43.86 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -65.36 -57.0 9.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.514 ' CD2' ' CB ' ' A' ' 52' ' ' ALA . 33.2 tp -41.43 -49.41 3.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.417 ' O ' HD21 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -42.56 -49.14 5.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.03 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -64.85 -33.9 77.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.497 ' HB3' ' CD2' ' A' ' 48' ' ' LEU . 3.3 mmtt -62.17 -37.84 86.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.487 ' CD1' ' HG ' ' A' ' 21' ' ' LEU . 1.9 mp -72.9 -52.77 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.52 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -50.96 -37.9 47.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.52 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 1.9 mm-40 -67.17 -42.43 84.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.344 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.567 ' CE2' HD21 ' A' ' 42' ' ' LEU . 62.9 t80 -54.78 -33.09 60.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 111.06 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.476 HD13 ' CG1' ' A' ' 106' ' ' VAL . 9.0 mt -69.89 -48.61 57.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -63.8 -10.78 21.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -94.24 -49.41 5.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.132 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.542 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 22.9 mmtp -80.54 -14.38 58.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 29' ' ' LEU . 4.5 mptt 56.09 64.83 1.6 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.42 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -120.28 160.0 23.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -116.45 7.73 13.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.407 ' HB2' HD12 ' A' ' 103' ' ' LEU . 1.9 p -167.43 146.68 5.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.568 ' CE1' HD12 ' A' ' 42' ' ' LEU . 26.0 p90 -175.87 175.49 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.593 ' CE2' ' CD2' ' A' ' 103' ' ' LEU . 36.5 m-85 -120.16 151.65 38.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.476 ' CG ' ' HB3' ' A' ' 80' ' ' PHE . 1.4 tt0 -60.01 -38.42 82.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.457 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 8.5 pt20 -64.25 -43.84 93.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.457 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 13.9 mm-40 -55.72 -18.12 7.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 110.338 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.568 HD12 ' CE1' ' A' ' 37' ' ' PHE . 9.0 mt -96.79 -24.11 16.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.083 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.508 ' HG2' ' CD2' ' A' ' 80' ' ' PHE . 0.6 OUTLIER -60.44 -18.54 51.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.333 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.2 p -86.48 -12.18 49.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.379 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.469 ' CG1' ' HG ' ' A' ' 48' ' ' LEU . 36.3 t -78.44 119.34 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 48' ' ' LEU . 6.3 mm-40 -61.61 -63.13 1.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.3 m -39.78 -29.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.497 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 69.4 mt -83.39 -60.24 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.539 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.0 mt-30 -46.87 -46.39 21.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.37 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.94 -22.94 2.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.974 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.705 ' CD2' ' CD1' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -98.65 -55.57 2.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.514 ' CB ' ' CD2' ' A' ' 21' ' ' LEU . . . -63.57 -6.76 5.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.539 ' N ' ' O ' ' A' ' 49' ' ' GLN . 7.7 t -109.99 -17.64 13.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.013 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.499 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -43.36 157.91 0.25 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.246 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.471 ' O ' ' CB ' ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.97 168.96 23.67 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 111.028 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.496 HG12 ' CE1' ' A' ' 58' ' ' HIS . 0.9 OUTLIER 165.94 150.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.8 t -85.77 113.54 22.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.166 . . . . 0.0 110.389 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.496 ' CE1' HG12 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -148.05 170.66 17.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.605 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.36 171.61 11.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.96 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 52.7 m -111.24 124.58 52.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 110.409 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -129.16 -150.61 7.15 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.468 1.105 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.4 m -130.65 172.36 12.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 110.028 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -148.93 122.28 9.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -64.84 80.77 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.4 p -159.68 136.2 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -80.1 99.93 7.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.41 167.25 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -113.1 -64.06 1.36 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -154.73 165.25 37.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.22 163.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.971 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 139.05 -153.13 22.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -145.24 80.15 1.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 0.779 . . . . 0.0 110.423 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.3 t -128.46 -50.98 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.983 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -55.26 -23.07 32.13 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.135 . . . . 0.0 111.041 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 55.7 t -71.96 -68.28 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 80' ' ' PHE . . . -48.98 -26.48 2.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -61.68 -24.73 66.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.46 ' HG2' ' N ' ' A' ' 79' ' ' VAL . 3.5 ptm180 -86.52 -27.98 23.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.152 . . . . 0.0 110.271 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.46 ' N ' ' HG2' ' A' ' 78' ' ' ARG . 10.5 t -86.93 -34.12 7.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.508 ' CD2' ' HG2' ' A' ' 43' ' ' GLU . 1.7 m-85 -68.05 -54.26 19.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.28 -41.15 65.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.414 ' ND2' ' O ' ' A' ' 78' ' ' ARG . 91.5 m-20 -64.82 -40.21 94.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.246 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 22' ' ' SER . . . -52.88 -56.84 12.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.449 HD11 ' CZ ' ' A' ' 37' ' ' PHE . 3.4 mm? -52.86 -53.01 55.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -42.43 -57.04 2.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.451 ' CD1' HG21 ' A' ' 18' ' ' THR . 2.3 mt -49.72 -51.43 38.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.237 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.469 HD22 ' CD1' ' A' ' 92' ' ' LEU . 80.6 mt -48.21 -49.03 34.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.435 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 0.1 OUTLIER -62.6 -23.36 67.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 86' ' ' LEU . 1.1 mm-40 -85.3 -25.54 27.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.88 -28.58 17.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.415 ' O ' ' CG2' ' A' ' 107' ' ' THR . . . 102.46 21.45 10.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.485 ' CD2' ' HD2' ' A' ' 26' ' ' LYS . 7.5 mt -82.8 -31.74 28.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 88' ' ' GLN . 2.4 m -147.25 176.53 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.652 ' CE1' ' CB ' ' A' ' 105' ' ' TYR . 28.5 p90 -163.24 151.7 13.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.443 ' HG3' ' CD1' ' A' ' 104' ' ' TYR . 39.0 mt-30 -93.19 134.18 35.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.503 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 0.2 OUTLIER -107.94 72.05 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.302 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 0.7 OUTLIER 155.58 -25.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.29 128.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 145.96 128.86 2.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -41.54 -52.24 3.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 109.983 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -99.22 76.34 2.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -136.05 160.57 38.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.593 ' CD2' ' CE2' ' A' ' 38' ' ' TYR . 1.8 tm? -63.37 130.97 46.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.443 ' CD1' ' HG3' ' A' ' 95' ' ' GLN . 30.3 m-85 -98.55 131.57 44.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.652 ' CB ' ' CE1' ' A' ' 94' ' ' PHE . 3.8 m-85 -103.41 138.06 40.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.476 ' CG1' HD13 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -79.45 161.01 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.415 ' CG2' ' O ' ' A' ' 91' ' ' GLY . 0.7 OUTLIER -121.11 138.52 54.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.396 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 15.3 t -41.5 158.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.65 143.84 32.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -145.08 40.4 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.36 -172.89 3.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -140.16 54.04 1.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -179.96 153.45 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -123.16 165.06 17.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.79 172.01 4.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.032 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -174.76 158.46 26.47 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -177.73 3.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.9 t -110.22 -57.82 2.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 179.46 -60.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.989 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.8 -60.24 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 55.31 170.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.961 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.35 121.23 1.57 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.44 87.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 0.0 109.973 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 p -169.32 168.63 9.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.986 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.36 141.12 4.11 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.548 1.155 . . . . 0.0 111.025 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 169.97 103.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 0.738 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.0 142.25 34.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -165.45 164.37 19.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.416 ' O ' ' O ' ' A' ' 12' ' ' LEU . 5.6 m120 -139.96 101.38 4.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.416 ' O ' ' O ' ' A' ' 11' ' ' ASN . 0.3 OUTLIER -48.91 177.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -163.09 152.3 14.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.518 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -39.15 -31.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -93.53 -39.08 11.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -64.81 -47.77 79.4 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.111 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.483 ' CD2' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -71.59 -33.08 68.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 109.275 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.421 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 1.2 m -63.19 -46.94 84.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.5 t -42.31 -46.12 4.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.491 HD13 ' CD2' ' A' ' 51' ' ' LEU . 0.9 OUTLIER -63.97 -50.24 69.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.496 ' CD1' HD11 ' A' ' 25' ' ' ILE . 7.8 tp -44.0 -45.64 7.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.423 ' C ' HD21 ' A' ' 87' ' ' LEU . 17.5 p -43.4 -56.38 3.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.015 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -61.02 -38.67 86.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.543 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . 30.8 mmtt -53.63 -41.34 66.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.496 HD11 ' CD1' ' A' ' 21' ' ' LEU . 1.5 mp -71.27 -54.97 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.481 ' HD2' ' CD2' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -49.58 -37.11 26.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.41 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 1.5 mm-40 -70.66 -41.77 71.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.359 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.563 ' CD2' HD21 ' A' ' 42' ' ' LEU . 50.5 t80 -53.42 -30.83 42.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.482 ' CD1' ' CG1' ' A' ' 106' ' ' VAL . 8.3 mt -72.34 -47.62 48.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -63.75 -11.68 28.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -93.7 -49.76 5.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.345 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 22.7 mmtp -80.51 -14.38 58.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' LEU . 17.3 mmtt 56.16 65.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.437 ' HE2' ' CD2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -119.69 168.27 11.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -123.39 6.56 9.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 p -166.74 147.63 6.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.972 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.574 ' CE2' HD11 ' A' ' 42' ' ' LEU . 33.5 p90 -176.66 164.7 2.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.545 ' CD1' ' HA ' ' A' ' 103' ' ' LEU . 54.1 m-85 -115.03 149.79 36.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.486 ' CG ' ' HB3' ' A' ' 80' ' ' PHE . 1.5 tt0 -54.25 -43.42 70.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.468 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 4.9 pt20 -56.33 -44.66 80.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.468 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 5.1 mm-40 -56.34 -20.62 19.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.574 HD11 ' CE2' ' A' ' 37' ' ' PHE . 8.4 mt -95.93 -23.5 16.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.433 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 1.3 mm-40 -61.61 -27.38 68.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.2 p -93.43 5.89 50.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.406 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.572 HG12 ' CD2' ' A' ' 48' ' ' LEU . 96.1 t -93.86 112.5 26.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 47' ' ' SER . 0.2 OUTLIER -51.24 -57.26 9.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.344 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' GLU . 18.8 m -37.25 -52.77 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.976 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.613 ' HB3' ' CE1' ' A' ' 80' ' ' PHE . 2.0 mm? -67.04 -65.95 0.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.567 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.6 mm-40 -38.27 -50.99 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.5 t -41.56 -27.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.491 ' CD2' HD13 ' A' ' 20' ' ' LEU . 2.4 tp -100.0 -50.68 3.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.3 -5.72 3.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.567 ' N ' ' O ' ' A' ' 49' ' ' GLN . 4.8 p -107.75 -22.61 12.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.464 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -43.54 156.61 0.28 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.478 ' O ' ' CB ' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.0 168.27 25.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.483 HG11 ' CD2' ' A' ' 17' ' ' LEU . 0.9 OUTLIER 165.58 150.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.3 t -86.85 110.01 19.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.386 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -136.97 -178.73 5.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.578 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.36 -178.88 7.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.028 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 53.5 m 61.63 126.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 110.432 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.26 130.76 1.3 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 64' ' ' GLN . 1.2 t -179.68 -50.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 110.001 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.455 ' O ' ' CB ' ' A' ' 64' ' ' GLN . 0.2 OUTLIER 68.0 -68.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.455 ' CB ' ' O ' ' A' ' 63' ' ' ASP . 0.5 OUTLIER 82.31 44.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.353 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.8 p -144.29 132.06 17.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -45.86 103.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.33 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.448 ' CD1' ' O ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -168.25 108.24 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt 40.84 85.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -96.94 92.68 6.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.13 79.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.002 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 39.8 -99.63 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.544 1.152 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.3 p -58.76 -167.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 0.737 . . . . 0.0 110.392 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.24 79.65 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.978 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 167.41 -37.89 0.23 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 51.3 t -60.21 -67.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.35 -38.42 19.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.417 ' N ' ' OE2' ' A' ' 43' ' ' GLU . 21.8 mt-30 -54.7 -20.45 8.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.496 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 66.4 mtt180 -92.04 -41.95 10.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.459 ' CG1' HD23 ' A' ' 21' ' ' LEU . 33.1 t -66.57 -33.91 66.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.613 ' CE1' ' HB3' ' A' ' 48' ' ' LEU . 2.3 m-85 -67.53 -55.25 14.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -41.56 97.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.503 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 94.4 m-20 -64.15 -20.17 65.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' A' ' 79' ' ' VAL . . . -73.84 -44.34 55.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.524 ' CD2' ' O ' ' A' ' 80' ' ' PHE . 2.9 mm? -62.78 -52.69 62.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -38.26 -55.39 1.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.503 ' CD1' ' O ' ' A' ' 82' ' ' ASN . 1.1 mt -54.63 -51.23 66.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.423 HD21 ' C ' ' A' ' 22' ' ' SER . 87.8 mt -48.76 -41.89 33.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.401 ' HG2' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -66.24 -27.48 67.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -77.72 -25.04 49.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.54 -28.83 18.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.27 19.7 13.82 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.481 ' CD2' ' HD2' ' A' ' 26' ' ' LYS . 8.5 mt -79.05 -41.23 29.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.401 HG23 ' HG2' ' A' ' 88' ' ' GLN . 1.8 m -137.56 174.29 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.401 ' CE1' ' HB2' ' A' ' 105' ' ' TYR . 48.6 p90 -163.3 154.84 17.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.489 ' NE2' ' CE1' ' A' ' 104' ' ' TYR . 29.8 mt-30 -116.18 118.07 31.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.514 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 0.8 OUTLIER -83.22 62.86 6.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 2.0 m-20 154.93 101.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.31 104.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -171.44 138.4 4.86 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.125 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 m -63.19 -45.75 90.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.83 76.94 2.0 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.2 mmtm -129.36 175.14 8.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.545 ' HA ' ' CD1' ' A' ' 38' ' ' TYR . 1.2 tm? -81.57 125.45 30.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.495 ' CD1' ' HB3' ' A' ' 84' ' ' LEU . 64.8 m-85 -90.84 93.64 9.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.467 ' CD2' ' HG3' ' A' ' 96' ' ' ARG . 61.0 m-85 -75.54 140.96 43.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.482 ' CG1' ' CD1' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -82.88 164.11 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.417 ' O ' ' CG2' ' A' ' 108' ' ' THR . 1.2 t -100.19 -35.0 9.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.386 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.417 ' CG2' ' O ' ' A' ' 107' ' ' THR . 15.1 t 47.14 -167.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.22 169.76 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 65.42 115.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.32 170.53 15.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.362 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -140.74 -49.74 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 176.86 147.5 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -168.91 82.13 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.312 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.28 171.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 156.09 155.86 7.57 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 154.55 42.71 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.473 1.775 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.37 -57.34 3.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.002 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.6 m -60.25 148.06 37.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.029 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 t -171.99 120.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 109.989 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m 179.96 164.25 1.13 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.54 -71.11 0.22 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m 64.16 69.26 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 110.001 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 t -167.09 169.93 12.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.955 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.78 89.61 0.07 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.4 t30 175.77 98.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 0.797 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -174.54 117.11 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -160.34 107.85 1.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.82 -177.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.8 mt -124.85 -176.72 3.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.537 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 0.1 OUTLIER -170.91 155.2 4.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.477 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -42.84 -36.42 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.26 -56.21 5.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.08 -53.47 44.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.47 1.106 . . . . 0.0 110.969 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.523 ' CD1' ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -53.64 -36.68 62.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 0.744 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.3 m -68.67 -55.82 10.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.418 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.403 ' O ' ' OG ' ' A' ' 22' ' ' SER . 23.0 t -41.11 -32.09 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.031 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 21' ' ' LEU . 6.3 tp -76.05 -54.2 7.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.453 HD22 ' CG1' ' A' ' 79' ' ' VAL . 7.0 tp -40.13 -47.69 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.416 ' C ' HD22 ' A' ' 87' ' ' LEU . 70.1 p -40.46 -58.0 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.989 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 1.2 mt-10 -60.97 -32.91 72.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.36 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 21' ' ' LEU . 8.4 mmtt -63.26 -36.73 84.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.473 ' CD1' ' HB3' ' A' ' 83' ' ' ALA . 4.8 mt -78.52 -54.17 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.515 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -48.52 -38.64 20.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.515 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 1.9 mm-40 -66.66 -43.3 84.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.581 ' CE2' HD21 ' A' ' 42' ' ' LEU . 47.2 t80 -55.99 -26.79 49.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.572 ' CD2' ' CE2' ' A' ' 37' ' ' PHE . 11.3 mt -76.5 -46.96 24.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -63.52 -10.54 18.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -94.22 -50.87 5.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.569 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 8.8 mmtp -80.99 -21.54 40.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.52 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER 55.57 67.52 1.0 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.549 ' SD ' ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -104.86 173.81 6.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -124.5 -6.65 7.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.6 p -169.0 136.87 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.977 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.572 ' CE2' ' CD2' ' A' ' 29' ' ' LEU . 8.4 p90 -164.3 168.44 18.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.578 ' CE2' HD11 ' A' ' 103' ' ' LEU . 59.4 m-85 -113.1 154.74 26.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.529 ' HB2' ' CE2' ' A' ' 104' ' ' TYR . 1.5 tt0 -61.01 -36.76 80.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -62.79 -30.15 71.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.267 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -67.96 -19.04 64.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.581 HD21 ' CE2' ' A' ' 28' ' ' PHE . 9.3 mt -99.12 -22.37 15.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.439 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 1.9 mm-40 -64.18 -27.18 68.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.6 p -90.05 3.72 52.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.389 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.576 HG12 ' CD2' ' A' ' 48' ' ' LEU . 57.6 t -90.52 130.36 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 47' ' ' SER . 1.3 tt0 -66.83 -59.87 3.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 46' ' ' GLU . 38.1 m -37.27 -49.81 0.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.595 ' HB3' ' CZ ' ' A' ' 80' ' ' PHE . 1.7 mm? -68.33 -67.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 53' ' ' SER . 3.1 mm-40 -38.46 -51.76 1.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.23 -28.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.476 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 1.8 tp -99.93 -49.49 4.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.246 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.59 -6.3 2.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 49' ' ' GLN . 69.4 m -113.94 -11.78 12.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.99 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 1.0 OUTLIER -54.02 160.22 2.42 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.457 ' C ' ' CG2' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.99 172.48 16.29 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.421 1.748 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.537 ' CG1' ' HA ' ' A' ' 13' ' ' ASP . 1.9 t -152.36 -143.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.4 t -162.69 53.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.412 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -111.74 -177.84 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.589 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.92 94.79 2.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.006 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.3 p -146.9 -167.21 2.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.372 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -130.06 -149.68 6.74 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.536 1.147 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.44 -57.97 0.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 0.75 . . . . 0.0 110.043 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.59 128.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -63.44 87.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.6 p -166.26 142.13 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 66.7 69.99 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 69.52 125.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -51.35 178.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 173.84 94.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.283 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.1 m -86.59 -67.74 0.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.968 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.87 -94.96 0.08 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.54 1.15 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -153.75 120.42 5.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 110.394 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.13 -57.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.955 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.02 -34.58 5.89 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.407 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 45.1 t -59.76 -65.6 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.39 -39.75 23.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -54.72 -21.26 10.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.501 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 86.3 mtt-85 -90.41 -40.37 12.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.453 ' CG1' HD22 ' A' ' 21' ' ' LEU . 40.0 t -67.06 -34.6 70.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.595 ' CZ ' ' HB3' ' A' ' 48' ' ' LEU . 3.1 m-85 -68.59 -54.84 14.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.954 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.414 ' NZ ' ' HB3' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -61.74 -41.94 98.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 78' ' ' ARG . 93.0 m-20 -63.46 -22.78 67.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.473 ' HB3' ' CD1' ' A' ' 25' ' ' ILE . . . -71.36 -50.33 33.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.532 ' CD2' ' O ' ' A' ' 80' ' ' PHE . 3.2 mm? -55.1 -51.0 67.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -38.55 -54.66 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.317 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.39 -41.79 90.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 84' ' ' LEU . 90.5 mt -57.25 -43.54 83.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -64.65 -19.53 65.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.255 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -87.96 -26.84 22.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 110.259 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.75 -29.63 22.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.24 17.63 15.34 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.491 HD21 ' CG ' ' A' ' 26' ' ' LYS . 4.3 mt -78.23 -34.7 49.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.3 m -142.24 176.41 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.591 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 12.8 p90 -162.24 148.81 13.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.466 ' NE2' ' CE1' ' A' ' 104' ' ' TYR . 17.9 mt-30 -119.18 121.58 40.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.409 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 29.4 mtp180 -87.58 55.1 3.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 0.7 OUTLIER 162.91 -49.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.52 168.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.015 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 101' ' ' ASP . . . 132.29 42.85 0.17 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 99' ' ' GLY . 0.9 OUTLIER 37.93 31.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 0.775 . . . . 0.0 110.001 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 99' ' ' GLY . 55.3 p30 -169.06 44.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -135.18 171.21 14.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.578 HD11 ' CE2' ' A' ' 38' ' ' TYR . 6.1 tt -81.74 153.54 26.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.529 ' CE2' ' HB2' ' A' ' 39' ' ' GLN . 46.9 m-85 -111.04 91.89 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.591 ' HB3' ' CZ ' ' A' ' 94' ' ' PHE . 68.4 m-85 -71.25 116.42 11.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.477 ' CG2' HD12 ' A' ' 29' ' ' LEU . 1.8 p -79.77 151.34 4.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 11.3 t -58.1 141.4 50.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.385 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.41 ' CG2' ' N ' ' A' ' 109' ' ' LYS . 6.1 t -174.34 -46.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.386 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.41 ' N ' ' CG2' ' A' ' 108' ' ' THR . 0.0 OUTLIER -160.53 72.17 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -141.68 84.19 1.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -127.49 -175.8 3.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.409 ' O ' ' HB3' ' A' ' 113' ' ' LEU . 49.3 m-20 -51.79 -39.42 58.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.442 ' HG ' ' N ' ' A' ' 114' ' ' GLN . 0.2 OUTLIER 68.1 146.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.442 ' N ' ' HG ' ' A' ' 113' ' ' LEU . 1.8 mt-30 -107.21 168.86 8.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 110.3 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 114' ' ' GLN . 2.5 t -39.01 143.0 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 167.98 168.33 29.95 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 81.75 2.15 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.468 1.772 . . . . 0.0 111.028 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 51.7 p -171.22 171.49 5.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 58.4 m -152.47 147.07 25.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m -169.03 141.87 2.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 0.791 . . . . 0.0 109.964 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.74 163.17 16.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.94 160.26 8.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -143.06 -59.6 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.783 . . . . 0.0 109.981 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t 66.53 150.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.031 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.65 103.62 1.84 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.56 1.162 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.6 t30 179.16 161.18 0.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 0.731 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.68 172.48 5.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -125.33 -59.71 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 71.87 170.0 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 mt -135.16 177.24 7.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.492 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -161.46 152.86 18.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.54 ' HB2' ' CD2' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -39.2 -34.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.22 -48.97 14.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -60.6 -57.26 19.84 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.489 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -54.04 -39.72 66.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.34 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 21' ' ' LEU . 1.2 m -60.34 -59.93 4.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 110.434 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 18' ' ' THR . 7.7 t -38.53 -35.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 110.042 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 tp -71.8 -53.97 11.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.568 ' O ' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -41.28 -50.45 3.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.498 ' O ' ' HB3' ' A' ' 26' ' ' LYS . 52.5 p -35.23 -58.72 0.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.455 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 1.7 mm-40 -59.53 -36.67 76.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.568 ' N ' ' O ' ' A' ' 21' ' ' LEU . 23.1 mmtt -64.3 -55.97 17.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.531 ' CD1' ' CD1' ' A' ' 21' ' ' LEU . 7.2 mt -58.63 -49.47 82.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.511 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -55.56 -39.68 70.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.511 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 1.7 mm-40 -60.93 -42.3 97.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.583 ' CE1' ' HE3' ' A' ' 32' ' ' LYS . 84.5 t80 -56.98 -36.17 70.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.521 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -61.27 -48.84 79.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -69.86 -14.31 62.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -83.93 -43.46 15.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.616 ' HB2' ' SD ' ' A' ' 34' ' ' MET . 22.3 mmtp -91.54 -23.3 19.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER 58.96 67.57 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.616 ' SD ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -110.35 177.89 4.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 111.042 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -124.41 -5.28 7.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.296 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.441 ' CB ' HD12 ' A' ' 103' ' ' LEU . 0.2 OUTLIER -168.22 142.83 3.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.019 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.484 ' CE2' HD22 ' A' ' 29' ' ' LEU . 38.2 p90 -163.71 161.37 23.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.575 ' CE2' ' CD2' ' A' ' 103' ' ' LEU . 44.6 m-85 -109.92 153.54 24.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.971 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -50.34 -33.8 21.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.408 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 5.4 pt20 -69.62 -41.79 75.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.408 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 16.5 mm-40 -56.06 -17.58 7.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.444 HD11 ' CG2' ' A' ' 25' ' ' ILE . 11.1 mt -104.24 -18.42 14.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.449 ' O ' ' CD ' ' A' ' 49' ' ' GLN . 8.1 mt-10 -68.0 -6.58 23.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.284 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.1 p -107.82 -2.61 19.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.378 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.569 HG13 ' CD1' ' A' ' 28' ' ' PHE . 77.2 t -84.92 93.85 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.425 ' C ' ' N ' ' A' ' 48' ' ' LEU . 0.4 OUTLIER -46.59 -58.92 3.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 110.284 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.4 m -41.95 -28.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.974 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.505 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 18.0 mt -90.3 -61.12 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.496 ' O ' ' N ' ' A' ' 53' ' ' SER . 1.9 mt-30 -43.34 -46.29 6.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.57 -26.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.975 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 21' ' ' LEU . 1.9 tp -98.86 -48.33 4.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.74 -8.49 6.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 49' ' ' GLN . 57.9 m -113.03 -19.19 11.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -41.72 159.38 0.18 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.489 ' O ' ' CB ' ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.95 169.12 23.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.778 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.492 ' CG2' ' HA ' ' A' ' 13' ' ' ASP . 1.2 p 164.59 150.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.8 t -81.94 119.85 24.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.54 ' CD2' ' HB2' ' A' ' 14' ' ' LEU . 1.5 p80 -175.39 170.48 3.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.585 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.2 p -63.53 -177.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.985 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 64.8 p -124.93 165.12 18.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.377 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -160.6 -164.87 16.31 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.6 p -158.48 171.58 19.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 110.008 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.57 150.3 15.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -66.49 76.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.5 p -155.8 131.6 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -128.23 55.34 1.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.24 -63.91 0.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -128.09 55.27 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 48.75 88.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.0 m 40.01 90.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.971 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -144.32 71.17 0.38 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 111.042 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 59.5 p 38.72 88.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 110.449 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.73 -61.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.03 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.65 -39.5 16.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.446 1.091 . . . . 0.0 111.041 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.2 t -61.9 -61.91 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 0.79 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.92 -32.78 21.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -62.47 -17.43 59.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.497 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 80.5 mtt-85 -93.93 -29.76 15.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.344 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.437 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 20.7 t -77.93 -32.43 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -76.79 -30.55 56.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.43 ' NZ ' ' HB3' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -86.25 -37.53 18.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 78' ' ' ARG . 87.0 m-20 -71.31 -45.41 63.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.549 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . . . -58.75 -42.04 87.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.41 ' O ' ' HB2' ' A' ' 87' ' ' LEU . 45.4 mt -62.94 -32.78 74.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.9 -57.91 10.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.2 mp -48.82 -42.42 36.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.414 ' CD2' ' HB2' ' A' ' 22' ' ' SER . 79.6 mt -53.54 -44.07 68.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.357 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 6.5 mt-30 -65.68 -21.22 66.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -86.36 -30.83 21.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -83.53 -29.97 27.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.94 16.64 16.32 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.461 1.101 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.414 ' CD1' HD21 ' A' ' 87' ' ' LEU . 3.1 mt -76.79 -31.43 56.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 88' ' ' GLN . 1.2 m -146.33 172.49 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.582 ' CD1' ' HB2' ' A' ' 105' ' ' TYR . 39.9 p90 -163.81 145.99 9.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.442 ' OE1' ' CE2' ' A' ' 104' ' ' TYR . 22.1 mt-30 -117.05 136.58 52.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.245 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -96.28 -45.84 6.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.15 -21.31 61.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.03 166.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.097 . . . . 0.0 109.988 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 106.84 149.93 16.71 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.456 1.098 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.7 t -68.55 142.44 55.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 109.989 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 44.7 t0 63.89 53.86 1.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.538 ' O ' ' CD1' ' A' ' 104' ' ' TYR . 27.3 mmtt -124.35 175.33 7.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.575 ' CD2' ' CE2' ' A' ' 38' ' ' TYR . 1.3 tm? -75.33 124.06 26.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.538 ' CD1' ' O ' ' A' ' 102' ' ' LYS . 59.6 m-85 -102.64 114.26 28.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.582 ' HB2' ' CD1' ' A' ' 94' ' ' PHE . 20.5 m-30 -80.62 124.22 28.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.6 t -67.15 163.54 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 108' ' ' THR . 9.7 t -89.82 -172.72 3.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.404 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 107' ' ' THR . 0.5 OUTLIER -37.33 -60.42 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.382 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.448 ' NZ ' ' O ' ' A' ' 110' ' ' ASP . 0.5 OUTLIER 69.24 82.06 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.448 ' O ' ' NZ ' ' A' ' 109' ' ' LYS . 1.3 t70 -44.38 103.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.79 -178.64 6.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -164.28 164.26 22.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.5 tt -41.1 110.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -177.14 159.13 1.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.1 t -47.32 -62.72 1.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.963 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 58.89 91.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 172.08 17.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.9 p -171.39 159.58 5.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.025 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 89.1 p -151.37 155.06 37.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 179.965 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.67 152.17 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 0.783 . . . . 0.0 110.018 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.9 p -165.59 171.38 13.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.038 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.48 -170.85 20.75 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.96 139.15 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 109.993 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.97 157.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.2 174.42 41.79 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.449 1.093 . . . . 0.0 110.963 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -131.44 168.09 18.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.35 174.45 12.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 59.19 112.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -68.22 175.03 3.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mt -115.26 178.1 4.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.483 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 1.7 m-20 -166.75 155.88 10.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.46 ' O ' ' CB ' ' A' ' 18' ' ' THR . 0.4 OUTLIER -37.52 -40.55 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.34 -47.69 19.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -57.22 -54.99 32.8 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -63.52 -28.93 70.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 109.301 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.46 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 1.0 OUTLIER -66.52 -51.2 59.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.398 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 18' ' ' THR . 22.7 t -38.47 -37.36 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.46 ' CD1' HD22 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -73.44 -55.22 6.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.494 ' O ' ' HB2' ' A' ' 24' ' ' LYS . 13.9 tp -42.66 -43.15 3.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.446 ' C ' HD21 ' A' ' 87' ' ' LEU . 5.2 p -39.14 -55.98 1.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.04 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.59 -37.42 86.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.583 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . 21.9 mmtt -55.0 -40.76 70.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.493 ' CD1' ' HG ' ' A' ' 21' ' ' LEU . 1.3 mp -72.12 -51.5 30.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.496 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -55.96 -39.11 71.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.496 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 1.4 mm-40 -65.41 -44.41 87.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.614 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 76.7 t80 -50.4 -35.57 28.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 33' ' ' LYS . 9.1 mt -66.81 -46.34 75.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -63.55 -14.14 48.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -94.0 -48.21 6.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.567 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 16.6 mmtp -79.83 -16.11 56.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 29' ' ' LEU . 8.4 mttt 57.74 65.7 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.405 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -128.76 146.41 50.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 110.981 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' A' ' 108' ' ' THR . 27.3 mt-30 -106.6 8.53 31.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 p -166.7 136.76 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.495 ' CE1' HD13 ' A' ' 29' ' ' LEU . 37.0 p90 -166.62 -176.1 3.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.605 ' CZ ' ' CD2' ' A' ' 103' ' ' LEU . 91.9 m-85 -128.77 147.7 50.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.509 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 2.4 tt0 -53.4 -24.87 13.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -74.54 -13.22 60.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -83.63 -14.27 52.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.614 ' CD1' ' CD2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -106.69 -20.85 13.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.471 ' OE2' ' CD2' ' A' ' 80' ' ' PHE . 5.5 mm-40 -65.24 -28.34 69.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.1 p -93.94 -1.83 54.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.417 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.58 HG13 ' CE1' ' A' ' 28' ' ' PHE . 99.0 t -89.32 106.68 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 47' ' ' SER . 0.0 OUTLIER -47.58 -54.36 11.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.292 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -38.11 -51.27 1.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.948 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.646 ' HB3' ' CE1' ' A' ' 80' ' ' PHE . 2.4 mm? -67.49 -65.84 0.64 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.558 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.0 mt-30 -38.11 -48.45 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.6 t -42.84 -28.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.005 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' A' ' 54' ' ' ARG . 1.7 tp -100.2 -50.66 3.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.43 -8.39 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.558 ' N ' ' O ' ' A' ' 49' ' ' GLN . 51.7 p -108.48 -23.8 11.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.995 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.471 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.7 OUTLIER -39.58 159.5 0.12 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.456 ' O ' ' CB ' ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.98 166.34 29.42 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.483 ' CG2' ' HA ' ' A' ' 13' ' ' ASP . 0.6 OUTLIER 167.11 150.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.3 t -88.14 88.97 7.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.402 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -117.67 170.94 8.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.608 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.6 t -144.36 95.65 2.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.018 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.9 t -166.6 168.88 14.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -160.97 149.69 18.93 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.132 . . . . 0.0 111.042 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.93 175.41 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 109.994 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 167.86 119.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -85.61 12.41 8.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 64' ' ' GLN . 5.9 t 38.44 64.06 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -162.07 72.75 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 tp -166.6 144.31 5.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.355 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.38 158.63 31.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 56.25 166.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.23 168.3 14.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.971 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.95 -162.57 12.38 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.2 t -63.51 139.77 58.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 0.751 . . . . 0.0 110.412 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 166.5 -49.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.005 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.495 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . -47.46 -48.8 21.58 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.402 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 77.5 t -43.09 -42.73 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.28 -43.43 98.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.495 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 10.8 mt-30 -52.45 -20.14 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.463 ' NH1' ' C ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -89.87 -32.32 16.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.286 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.464 ' CG1' HD22 ' A' ' 21' ' ' LEU . 12.8 t -77.61 -37.68 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.646 ' CE1' ' HB3' ' A' ' 48' ' ' LEU . 7.8 m-85 -64.1 -49.34 72.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 111.041 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -43.93 85.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 78' ' ' ARG . 91.5 m-20 -60.39 -44.47 95.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 79' ' ' VAL . . . -53.86 -47.32 71.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.509 ' CD1' ' HB2' ' A' ' 39' ' ' GLN . 17.6 mt -57.53 -51.12 70.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.8 OUTLIER -37.64 -56.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.32 -46.68 72.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.45 ' CD1' HG21 ' A' ' 25' ' ' ILE . 73.4 mt -49.91 -44.75 50.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -64.12 -25.18 67.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.257 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -80.49 -34.64 35.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.57 -28.82 41.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.14 17.8 17.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.467 ' CD2' ' HD2' ' A' ' 26' ' ' LYS . 3.1 mt -76.3 -37.03 58.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 0.738 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.3 m -139.76 176.24 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 6.5 p90 -162.86 146.23 11.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -107.93 127.33 53.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -101.31 -66.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.097 . . . . 0.0 110.282 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 98' ' ' SER . 60.0 m-20 -52.91 -23.82 7.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 97' ' ' ASP . 0.4 OUTLIER 61.0 141.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.411 ' CA ' ' HG3' ' A' ' 102' ' ' LYS . . . 133.25 159.04 8.96 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.537 1.148 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.2 p -58.94 -73.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.753 . . . . 0.0 109.975 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -79.13 75.45 5.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.411 ' HG3' ' CA ' ' A' ' 99' ' ' GLY . 37.2 mmtt -132.45 163.84 27.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.605 ' CD2' ' CZ ' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -75.94 127.56 33.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.414 ' N ' HD12 ' A' ' 103' ' ' LEU . 55.0 m-85 -95.23 104.06 15.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.566 ' CD1' HD11 ' A' ' 103' ' ' LEU . 22.5 m-30 -73.83 126.82 31.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.437 ' CB ' HD12 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -101.18 147.35 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 106' ' ' VAL . 1.7 t -38.75 144.1 0.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.39 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.43 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 8.8 t -41.3 -45.9 3.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.423 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 111' ' ' LYS . 2.9 ttpm? 49.31 92.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 109' ' ' LYS . 0.3 OUTLIER -39.44 99.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 109' ' ' LYS . 0.2 OUTLIER -116.69 -168.45 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.42 98.8 11.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 68.04 -179.01 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.11 102.57 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 80.5 p -50.62 -179.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.998 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -118.51 150.1 18.16 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 161.72 38.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.56 1.821 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 29.1 t -166.41 117.12 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.8 p -64.25 145.33 56.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.05 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.494 1.121 . . . . 0.0 110.966 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 m -152.23 169.76 21.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.773 . . . . 0.0 110.0 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -175.62 168.57 3.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.63 -115.3 0.33 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.76 150.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 110.003 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -177.09 152.3 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.35 174.75 37.39 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -157.21 94.68 1.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 0.78 . . . . 0.0 109.375 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.21 161.33 2.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.356 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -168.69 -64.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 12' ' ' LEU . 85.3 m-20 59.05 81.36 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.423 ' C ' ' OD1' ' A' ' 13' ' ' ASP . 0.6 OUTLIER -51.12 -178.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.558 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 0.1 OUTLIER 174.84 158.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.491 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -41.82 -28.32 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 13' ' ' ASP . . . -94.01 -38.49 11.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -66.03 -51.56 44.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.416 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -66.68 -32.96 74.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.81 -56.12 24.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 110.394 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.4 t -39.98 -45.6 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.972 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.487 HD13 ' CD2' ' A' ' 51' ' ' LEU . 1.4 tm? -61.92 -50.45 72.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.472 ' HG ' ' CD1' ' A' ' 25' ' ' ILE . 7.3 tp -47.59 -44.15 26.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.448 ' C ' HD21 ' A' ' 87' ' ' LEU . 3.5 p -43.22 -50.74 6.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.972 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 4.2 mt-10 -65.08 -30.18 71.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.479 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . 12.3 mmtt -65.94 -42.32 90.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.483 HG22 ' CD2' ' A' ' 84' ' ' LEU . 3.0 mt -73.13 -45.39 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.512 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -58.99 -38.61 79.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.512 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 4.7 mm-40 -69.73 -44.84 69.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.707 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 77.9 t80 -43.73 -39.58 3.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.569 HD13 ' CE1' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -61.43 -46.08 91.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -66.87 -15.39 63.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -90.43 -48.15 7.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.572 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 24.1 mmtp -80.95 -16.41 53.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER 57.8 64.68 1.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.457 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -127.56 143.11 51.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 110.985 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -96.16 1.11 52.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.482 ' CB ' HD12 ' A' ' 103' ' ' LEU . 0.3 OUTLIER -165.04 141.14 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.984 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.569 ' CE1' HD13 ' A' ' 29' ' ' LEU . 44.5 p90 -165.17 -179.48 5.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.588 ' CE2' HD23 ' A' ' 103' ' ' LEU . 97.4 m-85 -125.8 149.27 48.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.504 ' OE1' ' CB ' ' A' ' 81' ' ' LYS . 26.6 tt0 -53.18 -25.8 15.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -73.37 -13.95 61.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -83.24 -10.75 58.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.707 ' CD1' ' CD2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -110.14 -21.22 12.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.471 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 39.2 mt-10 -65.0 -29.91 70.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 p -93.48 -2.69 54.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 110.362 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.574 HG11 ' CD2' ' A' ' 48' ' ' LEU . 95.9 t -87.51 96.93 6.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -40.85 -49.29 3.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.261 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.63 -50.7 4.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.991 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.636 ' HB3' ' CE1' ' A' ' 80' ' ' PHE . 2.7 mm? -69.39 -64.3 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.544 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.0 mm-40 -39.83 -48.44 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.263 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.87 -27.8 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.487 ' CD2' HD13 ' A' ' 20' ' ' LEU . 2.4 tp -99.97 -46.78 5.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.69 -3.07 5.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.544 ' N ' ' O ' ' A' ' 49' ' ' GLN . 24.0 t -113.94 -13.58 12.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.995 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.426 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -51.11 159.08 1.09 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.443 ' C ' ' CG2' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.04 168.34 25.03 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.558 ' CG1' ' HA ' ' A' ' 13' ' ' ASP . 1.7 t -151.39 -143.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 40.5 p -105.22 23.15 14.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -69.36 152.75 44.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.578 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.16 61.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.4 m -155.54 -67.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.393 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.67 119.4 1.17 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.448 1.093 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 t -170.54 83.53 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 0.765 . . . . 0.0 110.033 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 179.79 61.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -94.4 105.74 17.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -107.79 -169.99 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -98.39 64.06 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.46 -166.7 1.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -59.8 -67.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 177.84 87.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.267 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -172.59 155.79 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.002 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -101.47 52.22 0.89 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.18 122.0 2.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.415 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 p 179.1 147.25 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 110.048 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 86.31 -44.02 3.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.428 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 50.2 t -43.16 -62.39 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 0.773 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.2 -49.09 61.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -51.48 -31.02 22.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.285 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.52 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 74.6 mtt-85 -77.72 -33.97 52.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.41 ' CG1' HD22 ' A' ' 21' ' ' LEU . 21.2 t -72.84 -32.7 41.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.636 ' CE1' ' HB3' ' A' ' 48' ' ' LEU . 5.4 m-85 -69.94 -35.99 74.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.504 ' CB ' ' OE1' ' A' ' 39' ' ' GLN . 0.1 OUTLIER -79.78 -45.98 17.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' A' ' 78' ' ' ARG . 86.2 m-20 -61.17 -30.35 70.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.425 ' HA ' HD13 ' A' ' 86' ' ' LEU . . . -70.9 -42.22 70.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.483 ' CD2' HG22 ' A' ' 25' ' ' ILE . 23.5 mt -62.65 -47.85 81.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -41.17 -54.87 2.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 83' ' ' ALA . 1.1 mp -52.54 -44.48 65.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.448 HD21 ' C ' ' A' ' 22' ' ' SER . 29.0 mt -51.9 -45.75 64.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -64.91 -20.21 66.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -87.6 -29.63 21.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -85.49 -29.45 24.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.13 16.24 19.36 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.483 1.115 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.474 ' CD2' ' HD2' ' A' ' 26' ' ' LYS . 3.1 mt -76.97 -33.62 57.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.2 m -142.14 172.49 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.24 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 31.8 p90 -162.25 148.54 13.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.535 ' OE1' ' CE1' ' A' ' 104' ' ' TYR . 33.4 mt-30 -115.79 118.13 32.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.264 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.405 ' O ' ' CG ' ' A' ' 97' ' ' ASP . 2.5 mtt180 -105.61 75.67 1.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 96' ' ' ARG . 4.0 m-20 175.3 -35.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.0 p 77.06 116.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.974 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 162.13 179.41 36.75 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.546 1.154 . . . . 0.0 111.046 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.8 p -93.85 -59.66 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 109.979 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -88.27 79.03 7.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -136.17 166.19 23.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.592 HD13 ' CD1' ' A' ' 105' ' ' TYR . 1.1 tm? -75.99 127.07 32.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.535 ' CE1' ' OE1' ' A' ' 95' ' ' GLN . 64.3 m-85 -91.94 104.81 17.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.592 ' CD1' HD13 ' A' ' 103' ' ' LEU . 23.3 m-30 -75.15 132.29 41.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -85.78 162.06 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 92' ' ' LEU . 4.9 t -94.02 129.81 40.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.374 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.7 t -63.36 134.6 56.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 110.429 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.35 73.47 9.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.3 102.67 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.9 mttt 40.83 87.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 114' ' ' GLN . 0.1 OUTLIER -162.14 128.25 3.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.8 mp 60.77 -84.66 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 112' ' ' ASP . 6.9 mt-30 -101.36 162.58 12.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 88.1 p -163.76 164.16 23.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 134.75 168.94 11.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.141 . . . . 0.0 111.045 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.6 35.53 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.454 1.765 . . . . 0.0 111.039 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.4 t -109.19 -59.83 1.84 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 110.039 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 96.6 p -53.72 139.58 32.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.953 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.102 . . . . 0.0 110.975 -179.964 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t 64.58 146.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 0.79 . . . . 0.0 109.978 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -130.97 165.9 22.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.984 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.42 152.86 21.82 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.7 p -133.55 -64.69 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 110.035 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.69 161.65 15.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 110.032 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.0 173.71 14.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 0.0 111.054 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -176.71 168.89 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.88 170.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -143.34 -51.25 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 60.43 176.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.7 mt -125.89 -174.81 3.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.436 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 3.1 p-10 -174.79 155.62 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 18' ' ' THR . 0.3 OUTLIER -37.43 -47.34 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.25 -55.5 15.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.075 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.41 -59.62 9.35 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.697 ' CD1' ' CD2' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -55.26 -36.98 66.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.493 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 1.7 m -62.94 -52.67 62.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.424 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.4 t -40.75 -50.62 3.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.041 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 tp -57.47 -57.28 13.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.486 ' HA ' ' CD1' ' A' ' 51' ' ' LEU . 19.7 tp -41.72 -48.28 4.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.44 ' C ' HD23 ' A' ' 87' ' ' LEU . 4.1 p -41.38 -52.23 3.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 110.025 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 3.6 mt-10 -63.5 -34.9 78.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.537 ' HB3' ' CD2' ' A' ' 48' ' ' LEU . 3.5 mmtt -61.6 -43.95 97.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.471 ' CG2' ' HG ' ' A' ' 42' ' ' LEU . 5.0 mt -73.02 -47.82 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.514 ' HD2' ' CD2' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -56.18 -37.11 69.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 23' ' ' GLU . 1.4 mm-40 -66.77 -42.36 86.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.573 ' CE1' ' HE3' ' A' ' 32' ' ' LYS . 83.6 t80 -54.69 -28.85 50.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.579 HD21 ' CZ ' ' A' ' 37' ' ' PHE . 9.7 mt -71.07 -48.75 50.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -64.56 -11.93 39.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -93.76 -47.05 6.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.573 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 14.5 mmtp -83.02 -10.71 58.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER 48.47 61.72 2.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.463 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -112.01 158.57 19.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 111.054 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -109.73 -0.75 18.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.253 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.439 ' CB ' HD13 ' A' ' 103' ' ' LEU . 0.3 OUTLIER -166.6 150.71 7.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.972 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.579 ' CZ ' HD21 ' A' ' 29' ' ' LEU . 43.6 p90 -174.06 -175.41 1.03 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.956 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.59 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 82.9 m-85 -130.16 145.61 51.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.506 ' CG ' ' HB3' ' A' ' 80' ' ' PHE . 1.8 tt0 -52.48 -29.39 24.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -71.94 -13.48 61.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.318 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -83.66 -10.26 58.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.615 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -103.1 -23.63 13.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.505 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 3.6 mm-40 -66.65 -23.59 66.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 p -82.16 -17.31 46.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.455 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.514 ' HB ' ' CD1' ' A' ' 48' ' ' LEU . 38.4 t -81.07 111.11 17.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -52.86 -62.52 1.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.5 m -38.79 -30.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.082 . . . . 0.0 109.976 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.537 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 88.8 mt -84.36 -56.99 3.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 2.0 mt-30 -47.53 -44.17 25.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.245 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.405 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 4.9 t -53.6 -21.15 6.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.983 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.697 ' CD2' ' CD1' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -98.45 -54.37 3.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.48 ' CB ' ' CD2' ' A' ' 21' ' ' LEU . . . -65.88 -4.94 7.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 49' ' ' GLN . 40.2 p -111.73 -14.95 13.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.995 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.467 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 1.8 mtt180 -47.98 157.87 0.6 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.462 ' O ' ' CB ' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.01 169.51 22.47 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.45 1.763 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.462 ' CB ' ' O ' ' A' ' 55' ' ' PRO . 0.9 OUTLIER 166.43 150.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.247 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.4 t -46.49 99.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 110.392 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -117.56 172.78 7.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.588 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.2 p -158.81 152.63 23.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.585 1.178 . . . . 0.0 109.979 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.0 t -42.3 143.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.87 -149.78 5.13 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.58 -57.42 2.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 110.026 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 46.15 58.13 4.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -95.29 106.23 18.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -112.55 -170.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -143.21 35.01 1.34 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.2 mp -100.07 -81.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.14 179.32 6.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -128.39 124.86 37.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.2 t -176.05 -60.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.958 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 133.63 56.26 0.07 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.559 1.162 . . . . 0.0 111.002 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.421 ' O ' ' CB ' ' A' ' 73' ' ' SER . 14.9 t -173.18 165.36 4.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 110.398 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 72' ' ' THR . 2.4 m 79.42 -58.8 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.033 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -49.2 -27.09 7.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.469 ' O ' ' CD ' ' A' ' 78' ' ' ARG . 11.3 p -71.6 -56.0 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.462 ' N ' ' CG1' ' A' ' 75' ' ' VAL . . . -60.68 -24.05 65.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -64.15 -28.26 69.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.5 ' HG2' ' N ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -81.12 -26.44 36.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.5 ' N ' ' HG2' ' A' ' 78' ' ' ARG . 6.5 t -88.53 -35.04 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.506 ' HB3' ' CG ' ' A' ' 39' ' ' GLN . 1.9 m-85 -70.6 -51.82 25.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.142 . . . . 0.0 110.967 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 82' ' ' ASN . 0.3 OUTLIER -55.6 -38.62 69.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.424 ' N ' ' HG3' ' A' ' 81' ' ' LYS . 92.0 m-20 -68.35 -40.07 81.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.77 -58.07 7.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 84' ' ' LEU . 3.6 mm? -50.44 -51.43 46.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.64 -61.57 1.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 89' ' ' GLU . 1.3 mt -45.66 -51.38 12.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.44 HD23 ' C ' ' A' ' 22' ' ' SER . 49.3 mt -46.97 -42.72 18.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.422 ' HG2' HG21 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -65.68 -29.12 69.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.291 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 86' ' ' LEU . 0.7 OUTLIER -75.86 -25.4 56.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.7 -30.18 18.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 106.36 9.07 32.17 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.525 1.141 . . . . 0.0 111.043 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.514 ' CD2' ' HD2' ' A' ' 26' ' ' LYS . 2.0 mt -67.39 -46.9 71.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.422 HG21 ' HG2' ' A' ' 88' ' ' GLN . 3.2 m -132.08 178.1 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 20.4 p90 -163.53 156.76 18.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -119.92 133.68 55.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -108.23 -53.12 2.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -57.86 -22.08 46.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.2 m 62.08 131.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 110.018 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 136.39 144.27 4.81 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 t -54.47 -58.54 7.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.006 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -85.01 67.39 10.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -130.61 168.2 17.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.59 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -77.66 125.38 29.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.451 ' N ' HD12 ' A' ' 103' ' ' LEU . 26.6 m-85 -91.69 110.98 22.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 111.049 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.583 ' CD1' HD11 ' A' ' 103' ' ' LEU . 22.5 m-30 -81.35 127.27 32.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.951 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.5 p -95.78 147.19 6.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.6 t -40.92 154.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -152.28 -45.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.377 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.78 68.54 1.47 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 112' ' ' ASP . 19.3 t70 -157.35 158.27 35.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.463 ' CD ' ' O ' ' A' ' 111' ' ' LYS . 0.0 OUTLIER -40.5 98.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 110' ' ' ASP . 6.5 m-20 -164.93 -44.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 112' ' ' ASP . 1.5 mt 68.51 62.22 0.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.18 173.03 6.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.09 101.05 8.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 158.83 114.57 0.39 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -174.96 2.12 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.507 1.793 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.4 p -134.45 -71.35 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.042 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.0 p -153.35 -65.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.97 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.568 1.168 . . . . 0.0 110.996 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.2 t 63.11 144.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 0.762 . . . . 0.0 109.972 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 t -175.06 147.32 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.028 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.32 -134.3 4.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.38 158.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 0.744 . . . . 0.0 110.018 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -114.35 -56.82 2.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.992 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.89 70.1 0.22 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -164.13 -53.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 109.313 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.97 120.67 9.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -159.94 117.42 2.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.33 179.15 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.3 mt -123.72 178.24 5.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -163.11 151.0 13.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.494 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -38.75 -32.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 13' ' ' ASP . . . -84.31 -48.22 9.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -58.47 -54.54 36.88 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.533 1.145 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.689 ' CD1' ' CD2' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -62.45 -28.24 69.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.403 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -66.73 -55.47 14.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.367 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.4 t -41.41 -46.17 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.988 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.41 HD21 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -62.07 -54.78 36.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.49 ' CD2' ' CB ' ' A' ' 52' ' ' ALA . 30.9 tp -48.6 -47.53 39.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.444 ' O ' HD22 ' A' ' 87' ' ' LEU . 6.1 p -39.98 -54.62 2.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.003 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.93 -38.29 81.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.515 ' HB3' ' CD2' ' A' ' 48' ' ' LEU . 7.7 mmtt -57.82 -39.59 77.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.464 ' CD1' ' HG ' ' A' ' 21' ' ' LEU . 4.1 mt -72.96 -52.02 24.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.506 ' HB2' ' HG ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -55.33 -35.77 65.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -71.74 -35.02 69.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.083 . . . . 0.0 110.301 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.595 ' CE2' ' HG3' ' A' ' 32' ' ' LYS . 69.9 t80 -62.38 -39.08 92.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.574 HD22 ' CE2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -58.38 -52.88 63.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -65.44 -11.82 46.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -90.89 -39.3 12.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.595 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 20.0 mmtp -90.02 -13.83 35.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 56.69 65.11 1.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.473 ' CE ' HD13 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -125.82 157.28 37.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 110.955 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -116.51 10.62 14.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.3 p -166.85 145.95 5.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.977 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.574 ' CE2' HD22 ' A' ' 29' ' ' LEU . 30.0 p90 -178.1 163.81 1.75 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 111.048 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.576 ' CE2' HD22 ' A' ' 103' ' ' LEU . 48.5 m-85 -114.61 163.83 14.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -62.54 -26.63 68.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.452 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 10.4 pt20 -73.7 -43.77 58.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.34 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.452 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 4.6 mm-40 -56.08 -18.64 10.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.488 HD13 ' CE1' ' A' ' 37' ' ' PHE . 11.2 mt -103.15 -17.74 15.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.426 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 12.1 mm-40 -68.09 -8.54 38.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.7 p -105.12 -2.11 24.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.408 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.415 HG12 ' CE1' ' A' ' 28' ' ' PHE . 53.2 t -86.13 107.65 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -54.25 -63.51 1.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.5 OUTLIER -38.06 -31.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.994 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.515 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 14.1 mt -84.37 -60.52 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.559 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.0 mt-30 -46.39 -47.34 18.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.62 -23.15 1.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.942 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.689 ' CD2' ' CD1' ' A' ' 17' ' ' LEU . 1.3 tt -98.83 -55.09 2.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.107 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.49 ' CB ' ' CD2' ' A' ' 21' ' ' LEU . . . -64.4 -5.92 6.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.559 ' N ' ' O ' ' A' ' 49' ' ' GLN . 22.7 t -107.24 -20.32 13.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.079 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.5 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -42.08 157.42 0.22 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.243 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.02 169.87 21.67 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.799 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.484 HG11 ' CD2' ' A' ' 17' ' ' LEU . 0.8 OUTLIER 165.42 150.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.2 t -64.74 81.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.395 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -64.24 172.05 2.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.589 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.47 ' O ' ' C ' ' A' ' 60' ' ' THR . 14.3 t -164.18 -64.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.023 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 59' ' ' SER . 33.3 p 32.53 -142.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.384 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.74 76.74 1.34 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.82 112.81 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 62.85 123.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 66' ' ' GLU . 24.4 mt-30 -80.46 51.81 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.307 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.439 ' CG2' HD12 ' A' ' 67' ' ' LEU . 7.6 p -40.49 97.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 64' ' ' GLN . 1.0 OUTLIER -74.31 60.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.439 HD12 ' CG2' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -111.9 75.81 0.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.093 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 58.96 109.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -151.68 125.23 8.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.21 87.29 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.994 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.01 -110.05 1.17 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.3 t -68.33 173.62 4.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 110.375 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 t 73.22 -64.3 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.977 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.62 -26.39 2.59 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.53 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 10.6 p -70.16 -54.65 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.454 ' N ' ' CG1' ' A' ' 75' ' ' VAL . . . -62.04 -26.47 68.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -58.88 -21.25 56.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' A' ' 75' ' ' VAL . 7.7 ptp180 -89.65 -33.36 16.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.253 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.422 ' N ' ' HG2' ' A' ' 78' ' ' ARG . 3.7 t -81.75 -32.56 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 76' ' ' ALA . 2.0 m-85 -69.36 -45.31 69.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -39.25 90.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 78' ' ' ARG . 73.6 m-20 -69.36 -45.38 69.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.94 -43.52 69.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 87' ' ' LEU . 47.6 mt -62.52 -33.53 75.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.65 -55.73 30.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.444 ' CD2' ' H ' ' A' ' 86' ' ' LEU . 3.1 mm? -49.96 -43.64 50.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.467 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 5.4 mt -54.19 -51.34 64.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -57.32 -19.38 22.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -93.67 -29.08 15.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.437 ' HB2' HD23 ' A' ' 92' ' ' LEU . 1.3 mttm -83.34 -14.11 53.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.414 ' O ' ' HB ' ' A' ' 107' ' ' THR . . . 93.66 7.65 61.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.506 ' HG ' ' HB2' ' A' ' 26' ' ' LYS . 4.1 mm? -64.54 -56.07 16.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.248 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.8 m -124.18 -180.0 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.503 ' CE1' ' HB2' ' A' ' 105' ' ' TYR . 12.7 p90 -161.46 145.02 12.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -105.55 125.36 50.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.289 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -82.55 -50.91 8.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.53 111.4 24.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.11 134.9 17.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 150.94 133.51 2.07 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.469 1.106 . . . . 0.0 111.03 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 m -81.8 56.32 3.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 0.772 . . . . 0.0 109.977 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.9 t0 178.75 49.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -127.96 156.46 42.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.576 HD22 ' CE2' ' A' ' 38' ' ' TYR . 1.1 tm? -61.96 122.17 14.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.417 ' N ' HD13 ' A' ' 103' ' ' LEU . 81.1 m-85 -83.15 105.27 13.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.522 ' CD1' HD12 ' A' ' 103' ' ' LEU . 36.4 m-85 -84.72 135.58 34.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -80.59 164.9 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 92' ' ' LEU . 8.7 t -73.58 -44.56 56.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 110.405 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.435 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -165.51 148.87 8.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 110.416 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 108' ' ' THR . 0.1 OUTLIER 168.6 50.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.436 ' CG ' ' N ' ' A' ' 111' ' ' LYS . 1.5 t70 -72.11 167.48 20.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.436 ' N ' ' CG ' ' A' ' 110' ' ' ASP . 5.5 mmtm 68.84 156.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 59.57 65.99 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.9 tp 178.35 145.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 0.0 109.304 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.09 104.92 2.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -164.75 -62.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.483 1.115 . . . . 0.0 110.006 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 110.15 119.88 4.12 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 111.076 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -57.1 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.481 1.78 . . . . 0.0 110.982 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 81.1 p -167.44 168.75 12.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 110.034 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 25.7 p -65.32 111.2 2.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.054 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 t -178.9 143.11 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.4 p -174.28 141.43 0.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.962 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.04 116.84 0.19 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 110.958 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 p -174.62 167.25 3.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.767 . . . . 0.0 110.013 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.0 p 42.7 88.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.75 128.66 1.08 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.55 1.156 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -146.76 99.25 3.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 0.795 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -173.68 120.86 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -150.12 -65.32 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 67.77 170.71 0.27 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.1 mt -124.32 -178.78 4.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.485 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 0.5 OUTLIER -164.93 153.45 12.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.49 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -37.43 -37.82 0.21 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.83 -50.75 14.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.234 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -57.19 -56.58 24.3 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.515 ' CD1' ' O ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -58.77 -29.87 67.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.468 ' CG2' HD13 ' A' ' 86' ' ' LEU . 1.0 OUTLIER -66.9 -56.14 11.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 18' ' ' THR . 29.0 t -38.67 -38.5 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 tp -70.41 -58.88 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.479 ' HG ' ' CD1' ' A' ' 25' ' ' ILE . 6.8 tp -41.15 -44.58 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.54 ' CB ' HD11 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -44.77 -48.57 10.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.53 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . 4.8 mt-10 -67.55 -27.65 67.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.461 ' HB3' ' CD2' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -71.51 -40.29 70.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.491 HD12 ' CD1' ' A' ' 80' ' ' PHE . 3.2 mt -75.82 -44.51 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.53 ' CE ' ' HA ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -60.21 -39.75 87.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.529 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 4.6 mm-40 -67.41 -45.31 76.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.338 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.636 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 82.3 t80 -48.29 -34.68 10.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.956 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.575 HD13 ' CZ ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -61.62 -47.76 83.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -71.32 -13.13 61.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -90.07 -39.71 12.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.586 ' HG3' ' CZ ' ' A' ' 28' ' ' PHE . 51.6 mmtt -89.19 -13.53 38.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt 55.09 58.71 4.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.496 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -117.52 158.8 23.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -112.9 2.54 15.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.343 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.3 p -166.6 148.94 6.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.575 ' CZ ' HD13 ' A' ' 29' ' ' LEU . 14.3 p90 -177.83 -178.23 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.066 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.612 ' CZ ' ' CD2' ' A' ' 103' ' ' LEU . 90.6 m-85 -128.23 147.82 50.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.519 ' CG ' ' HB3' ' A' ' 80' ' ' PHE . 1.9 tm0? -53.18 -19.49 3.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -80.05 -14.19 58.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -83.29 -10.38 58.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.276 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.636 ' CD1' ' CD2' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -106.25 -22.5 12.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.442 ' O ' ' CD ' ' A' ' 49' ' ' GLN . 2.4 mm-40 -64.86 -18.55 65.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.1 p -96.19 -10.4 28.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 110.389 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.577 HG22 ' CE1' ' A' ' 28' ' ' PHE . 76.9 t -80.47 95.25 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.44 -52.33 10.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 73.9 m -48.18 -24.2 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.995 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' ' 42' ' ' LEU . 61.0 mt -95.01 -57.08 2.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.496 ' O ' ' N ' ' A' ' 53' ' ' SER . 1.9 mt-30 -43.37 -42.81 4.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.71 -24.51 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.013 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.451 ' CD2' ' HG3' ' A' ' 24' ' ' LYS . 2.3 tp -98.28 -49.23 4.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.516 ' CB ' ' CE2' ' A' ' 80' ' ' PHE . . . -64.35 -7.08 8.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 49' ' ' GLN . 35.0 t -109.33 -20.68 12.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.967 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.7 OUTLIER -44.36 159.55 0.25 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.289 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.484 ' O ' ' HB ' ' A' ' 56' ' ' VAL . 18.1 Cg_endo -75.06 167.92 25.94 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.485 ' CG2' ' HA ' ' A' ' 13' ' ' ASP . 1.4 p 165.51 151.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.429 ' N ' HG23 ' A' ' 56' ' ' VAL . 4.1 t -100.15 145.51 27.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.402 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.434 ' CD2' ' HB2' ' A' ' 14' ' ' LEU . 7.9 p80 -170.62 -176.37 2.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.601 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.99 92.35 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.998 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.8 t -150.9 177.13 10.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.413 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -111.72 -148.12 10.88 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.525 1.14 . . . . 0.0 111.045 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.9 m -168.37 176.26 5.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 110.023 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.95 169.67 9.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -106.16 50.64 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 71.1 t -120.45 55.81 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.88 113.97 12.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.257 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.49 52.55 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -149.87 171.63 16.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.19 167.2 10.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.1 m -129.02 160.53 32.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.962 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 134.48 105.53 0.86 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.3 p 40.9 60.17 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 0.732 . . . . 0.0 110.42 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.23 -47.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 110.011 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.514 ' O ' ' CZ ' ' A' ' 78' ' ' ARG . . . -57.11 -31.18 61.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.52 1.137 . . . . 0.0 111.041 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.415 ' CG1' ' N ' ' A' ' 76' ' ' ALA . 13.2 p -63.91 -56.25 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.415 ' HB1' ' CB ' ' A' ' 52' ' ' ALA . . . -50.54 -31.86 16.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -64.41 -22.83 67.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.514 ' CZ ' ' O ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -86.32 -30.81 21.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 25.5 t -80.53 -41.72 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.519 ' HB3' ' CG ' ' A' ' 39' ' ' GLN . 2.1 m-85 -66.02 -59.55 3.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.77 -35.8 23.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 78' ' ' ARG . 78.4 m-20 -67.56 -45.81 74.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' A' ' 22' ' ' SER . . . -47.83 -56.38 7.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.56 ' HG ' ' CD2' ' A' ' 104' ' ' TYR . 3.0 mm? -50.55 -49.76 55.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -46.94 -57.58 4.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.349 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.468 HD13 ' CG2' ' A' ' 18' ' ' THR . 1.0 OUTLIER -56.97 -47.57 80.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.54 HD11 ' CB ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -46.74 -49.77 19.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -57.83 -39.45 77.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -64.98 -32.28 73.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.436 ' NZ ' ' HB3' ' A' ' 86' ' ' LEU . 5.2 mttp -83.83 -27.34 28.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.17 11.74 33.24 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.466 1.104 . . . . 0.0 110.965 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.495 HD22 ' CG ' ' A' ' 26' ' ' LYS . 4.1 mt -68.22 -41.84 80.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.789 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.9 m -135.83 178.12 5.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 18.9 p90 -161.58 148.47 14.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -108.6 139.43 43.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.564 ' HG3' ' CE2' ' A' ' 105' ' ' TYR . 19.7 mtm180 -109.58 38.99 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.68 108.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.41 107.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.056 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -167.41 170.58 41.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.463 1.102 . . . . 0.0 111.045 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.34 -19.34 20.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.756 . . . . 0.0 110.035 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.3 89.64 2.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.0 mmtm -136.69 178.35 7.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.612 ' CD2' ' CZ ' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -80.37 122.72 27.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.56 ' CD2' ' HG ' ' A' ' 84' ' ' LEU . 30.4 m-85 -89.99 91.1 8.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 94' ' ' PHE . 63.4 m-85 -70.87 116.97 11.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.2 p -75.73 156.14 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 92' ' ' LEU . 2.2 t -52.39 147.55 7.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.399 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.4 t -117.32 167.11 11.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.4 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 110' ' ' ASP . 0.0 OUTLIER -39.58 138.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 109' ' ' LYS . 1.3 t70 81.5 92.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.84 -171.94 3.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -157.31 162.96 39.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.3 mp -50.53 104.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.246 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -178.75 122.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 96.4 p 179.78 171.39 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.017 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -159.55 176.15 36.34 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 139.78 24.68 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.442 1.759 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 61.2 p 178.44 -57.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.65 57.73 1.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.957 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 t -161.07 145.75 13.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 110.008 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 t -179.4 148.91 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.08 176.56 15.54 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.3 p -48.59 176.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 0.74 . . . . 0.0 110.011 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.6 p -123.53 66.41 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.001 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.22 -166.24 0.29 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -177.39 135.32 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.2 ttmt 62.11 137.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -136.14 -46.05 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 59.25 156.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.353 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mt -116.93 178.97 4.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.509 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 1.0 OUTLIER -179.48 155.82 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 13' ' ' ASP . 6.0 tp -36.08 -33.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -78.7 -55.33 5.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -60.17 -43.86 97.97 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.611 ' CD2' ' CD2' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -60.65 -27.89 68.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 0.783 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.439 HG21 ' C ' ' A' ' 82' ' ' ASN . 1.3 m -76.91 -55.5 5.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.362 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.4 t -43.39 -39.98 3.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.968 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.448 ' HG ' ' CD1' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -71.26 -65.43 0.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.532 HD13 ' CB ' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -41.34 -52.7 3.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.533 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 45.4 p -37.97 -34.99 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 110.032 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 20' ' ' LEU . 5.7 mm-40 -80.55 -43.25 20.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.518 ' N ' ' O ' ' A' ' 21' ' ' LEU . 1.7 mmpt? -58.65 -51.21 70.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.509 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 5.2 mt -57.16 -51.06 74.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.466 ' HD2' ' CD2' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -56.98 -40.32 76.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -60.73 -41.45 95.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.311 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.586 ' CZ ' ' HG3' ' A' ' 32' ' ' LYS . 23.5 t80 -53.71 -47.84 70.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.546 ' O ' ' N ' ' A' ' 33' ' ' LYS . 8.1 mt -51.67 -47.16 63.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -65.19 -19.09 65.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -88.38 -48.69 7.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.586 ' HG3' ' CZ ' ' A' ' 28' ' ' PHE . 3.5 mmmt -81.39 -15.31 55.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' A' ' 29' ' ' LEU . 23.0 mmtt 49.34 65.12 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.53 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -112.54 174.72 5.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.953 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -123.26 -2.6 8.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.408 ' CB ' HD11 ' A' ' 103' ' ' LEU . 0.2 OUTLIER -166.26 155.53 11.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.036 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.585 ' CE1' HD13 ' A' ' 42' ' ' LEU . 34.6 p90 -175.73 169.61 2.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.57 ' CD1' HD22 ' A' ' 103' ' ' LEU . 39.8 m-85 -117.38 160.24 21.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -60.66 -30.32 69.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.344 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.414 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 11.1 pt20 -74.61 -41.48 60.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.414 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 9.2 mm-40 -58.9 -14.9 10.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.257 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.585 HD13 ' CE1' ' A' ' 37' ' ' PHE . 9.2 mt -99.35 -23.57 15.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.461 ' HA ' ' CE2' ' A' ' 80' ' ' PHE . 23.7 mt-10 -63.31 -15.95 58.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.7 p -100.79 -2.41 32.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.557 HG21 ' CZ ' ' A' ' 28' ' ' PHE . 92.2 t -87.69 91.46 3.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.08 -52.0 12.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.6 m -43.82 -27.56 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.989 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.439 ' HG ' ' CG1' ' A' ' 45' ' ' VAL . 24.5 mt -94.4 -59.76 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.633 ' O ' ' N ' ' A' ' 53' ' ' SER . 13.1 mm-40 -44.42 -48.38 9.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.06 -22.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.611 ' CD2' ' CD2' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -98.58 -66.32 0.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.473 ' CB ' HD12 ' A' ' 21' ' ' LEU . . . -54.28 -38.38 65.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.633 ' N ' ' O ' ' A' ' 49' ' ' GLN . 8.5 t -61.38 -24.07 66.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.029 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.563 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 44.2 mtt180 -45.97 153.69 0.64 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.439 ' O ' ' CB ' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.97 171.23 18.72 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.52 1.8 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.509 ' CG2' ' HA ' ' A' ' 13' ' ' ASP . 0.9 OUTLIER 166.38 152.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 56' ' ' VAL . 82.0 p -36.26 110.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.44 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.56 ' CE1' HG13 ' A' ' 75' ' ' VAL . 1.3 m-70 -146.98 -174.87 4.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.633 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.7 t -174.34 149.0 1.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.969 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 53.3 m -66.34 139.8 58.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.2 143.73 2.22 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.59 -60.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 0.0 110.009 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.49 137.94 54.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -65.14 82.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.9 p -160.08 136.31 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.408 ' O ' ' CG ' ' A' ' 66' ' ' GLU . 4.7 pt-20 -128.0 96.54 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.4 173.28 7.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -44.77 156.09 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 57.93 167.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.31 171.61 16.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.027 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.72 -123.63 6.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.418 1.074 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.2 t -78.04 55.89 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.744 . . . . 0.0 110.361 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.5 m -140.82 65.01 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . -167.4 -40.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.105 . . . . 0.0 111.024 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.56 HG13 ' CE1' ' A' ' 58' ' ' HIS . 59.6 t -48.45 -66.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -47.42 -49.76 24.34 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.43 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 1.9 mp0 -47.01 -27.52 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.343 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.533 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 44.4 mtt85 -87.27 -43.82 11.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.464 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 12.4 t -66.46 -32.29 57.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.49 ' CD1' HD11 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -74.12 -46.64 41.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 110.949 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.466 ' CD ' ' HA ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -66.95 -38.85 86.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 78' ' ' ARG . 90.1 m-20 -71.66 -47.23 55.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.532 ' CB ' HD13 ' A' ' 21' ' ' LEU . . . -52.17 -42.67 63.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 34.7 mt -61.01 -35.51 77.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.78 -55.14 38.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -46.18 -38.9 8.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.533 ' CD2' ' O ' ' A' ' 22' ' ' SER . 61.9 mt -66.89 -43.16 84.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.43 ' HG3' ' CG2' ' A' ' 93' ' ' VAL . 10.3 mt-30 -66.78 -15.58 63.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -92.33 -26.49 18.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -87.06 -29.75 21.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 107.39 10.58 27.16 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.466 ' CD2' ' HD2' ' A' ' 26' ' ' LYS . 2.4 mt -70.89 -45.5 64.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.43 ' CG2' ' HG3' ' A' ' 88' ' ' GLN . 2.8 m -128.23 172.96 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.59 ' CE2' ' CB ' ' A' ' 105' ' ' TYR . 8.2 p90 -162.18 143.67 10.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -111.1 118.17 35.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.2 mmp_? -87.16 51.4 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 166.57 100.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 m -55.39 102.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.969 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -179.07 134.09 2.23 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.6 m -81.23 52.89 1.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 110.049 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -177.28 37.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -117.53 179.33 4.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.576 HD12 ' CD1' ' A' ' 105' ' ' TYR . 1.7 tm? -86.03 132.62 34.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.413 ' N ' HD13 ' A' ' 103' ' ' LEU . 64.4 m-85 -93.53 117.72 30.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.59 ' CB ' ' CE2' ' A' ' 94' ' ' PHE . 23.0 m-30 -92.29 135.56 33.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -100.56 149.07 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 4.7 t -50.46 142.35 10.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.389 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.6 t -122.91 -178.23 3.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 110.388 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -72.4 93.56 1.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.86 174.8 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.12 110.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -167.12 152.91 7.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.6 tp -47.86 -72.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -167.72 79.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.255 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.1 t -110.1 158.45 18.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.014 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 170.64 97.72 0.11 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 0.0 110.96 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.63 42.72 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.4 p -111.41 119.38 38.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.002 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.7 t -174.92 116.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.031 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.554 1.159 . . . . 0.0 110.968 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.43 168.08 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 109.973 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -146.28 142.9 28.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.082 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.63 165.77 25.58 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.24 156.91 25.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 0.0 109.975 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.95 160.24 0.52 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.82 68.49 0.4 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.525 1.141 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -164.99 -174.14 3.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 0.799 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.63 65.54 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 45.97 86.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.365 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.75 175.94 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 mt -132.37 178.26 6.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.462 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 0.2 OUTLIER -167.69 152.24 6.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.489 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -38.38 -31.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.446 ' N ' ' C ' ' A' ' 13' ' ' ASP . . . -82.92 -49.54 9.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -60.5 -54.21 39.07 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.701 ' CD1' ' CD2' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -58.74 -35.32 72.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.414 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 1.2 m -64.85 -54.52 29.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.407 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 18' ' ' THR . 10.5 t -38.17 -35.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.989 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 tp -74.7 -58.77 3.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.518 ' CD2' ' CB ' ' A' ' 52' ' ' ALA . 46.2 tp -40.31 -49.71 2.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.167 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.43 ' O ' HD21 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -43.12 -55.19 4.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.45 -33.39 72.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.481 ' HG3' ' CD1' ' A' ' 51' ' ' LEU . 4.2 mmtt -63.88 -38.61 91.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.465 ' CD1' ' HG ' ' A' ' 21' ' ' LEU . 3.6 mt -73.41 -45.89 50.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.492 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -58.47 -37.98 76.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.492 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 3.4 mm-40 -68.48 -42.92 77.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.592 ' CZ ' ' HG3' ' A' ' 32' ' ' LYS . 73.6 t80 -50.11 -50.65 47.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 111.045 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.601 HD22 ' CE1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -47.04 -45.54 21.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -67.14 -26.0 66.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.33 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 28' ' ' PHE . 2.9 tp10 -77.27 -44.32 30.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.592 ' HG3' ' CZ ' ' A' ' 28' ' ' PHE . 3.1 mmmt -83.17 -20.9 33.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.9 OUTLIER 61.14 62.59 1.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.568 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -120.51 174.79 6.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -125.35 1.95 7.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.3 p -166.84 151.11 7.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.004 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.601 ' CE1' HD22 ' A' ' 29' ' ' LEU . 37.0 p90 -177.04 162.13 1.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.774 ' CD2' ' HA ' ' A' ' 103' ' ' LEU . 63.5 m-85 -112.61 152.95 28.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -53.38 -39.29 64.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -60.83 -35.64 77.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -67.35 -14.98 63.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.574 HD22 ' CE2' ' A' ' 28' ' ' PHE . 12.3 mt -105.77 -20.8 13.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.432 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 27.4 mt-10 -61.78 -13.2 21.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.7 p -101.41 -3.18 29.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.417 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.4 t -85.85 109.04 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -56.05 -58.96 5.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.8 m -38.83 -35.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 17.5 mt -83.04 -59.56 2.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.567 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.2 mm-40 -46.36 -48.1 18.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.47 -23.81 2.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.701 ' CD2' ' CD1' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -98.06 -55.42 2.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.518 ' CB ' ' CD2' ' A' ' 21' ' ' LEU . . . -63.74 -7.58 8.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.567 ' N ' ' O ' ' A' ' 49' ' ' GLN . 21.9 t -108.22 -19.79 13.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -41.95 158.34 0.2 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.463 ' O ' ' CB ' ' A' ' 56' ' ' VAL . 18.3 Cg_endo -75.09 169.4 22.65 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.536 1.808 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.48 HG12 ' CD2' ' A' ' 17' ' ' LEU . 0.8 OUTLIER 166.65 149.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.5 t -93.18 125.25 37.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 110.393 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -167.4 -51.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.584 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.3 m 59.3 115.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 110.015 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.0 p -51.79 173.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.378 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -111.17 -69.59 0.58 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 64' ' ' GLN . 6.9 m -158.03 -49.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 109.979 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 64' ' ' GLN . 0.6 OUTLIER 65.31 -74.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.499 ' CB ' ' O ' ' A' ' 63' ' ' ASP . 2.9 tt0 85.56 53.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.7 p -139.36 124.89 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.45 ' O ' ' CG ' ' A' ' 66' ' ' GLU . 4.3 pt-20 -93.71 71.95 4.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.09 147.25 26.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm -52.84 107.75 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.1 p30 -173.35 179.46 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.47 172.06 12.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.32 -28.69 73.16 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.1 p -124.58 69.18 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 110.367 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 166.48 -30.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.424 1.078 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . -65.53 -33.72 87.11 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 78' ' ' ARG . 60.7 t -46.62 -50.25 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.775 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.08 -44.35 31.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 7.2 mt-30 -61.88 -19.98 63.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 75' ' ' VAL . 6.4 ttt180 -92.65 -16.28 25.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.46 ' CG2' HD23 ' A' ' 14' ' ' LEU . 25.3 t -94.75 -31.2 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -68.59 -45.57 71.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 82' ' ' ASN . 0.1 OUTLIER -64.96 -37.59 88.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.416 ' N ' ' HG3' ' A' ' 81' ' ' LYS . 40.2 m-20 -71.0 -37.55 72.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.401 ' HA ' HD13 ' A' ' 86' ' ' LEU . . . -64.54 -54.45 32.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.575 HD13 ' CE2' ' A' ' 104' ' ' TYR . 38.6 mt -55.4 -45.89 76.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.59 -59.18 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 89' ' ' GLU . 1.2 mp -48.66 -52.1 25.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.478 HD22 ' CD1' ' A' ' 92' ' ' LEU . 40.0 mt -44.54 -43.04 7.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -64.19 -31.62 72.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.262 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 86' ' ' LEU . 0.8 OUTLIER -76.49 -45.71 29.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.468 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 0.4 OUTLIER -67.53 -27.35 66.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.1 23.44 13.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.478 ' CD1' HD22 ' A' ' 87' ' ' LEU . 3.8 mt -83.63 -28.39 28.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.746 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.7 m -144.61 175.31 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 105' ' ' TYR . 17.5 p90 -161.78 147.69 13.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.639 ' NE2' ' CD1' ' A' ' 104' ' ' TYR . 0.9 OUTLIER -94.76 152.55 18.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -126.65 45.3 2.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.525 ' HB2' ' CE ' ' A' ' 102' ' ' LYS . 7.2 t0 -156.77 -68.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.0 t -179.42 32.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.454 ' HA2' ' OE1' ' A' ' 95' ' ' GLN . . . 52.77 -169.06 0.78 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 99' ' ' GLY . 0.3 OUTLIER 57.1 110.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.767 . . . . 0.0 110.022 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.3 t0 46.38 64.67 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.256 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.525 ' CE ' ' HB2' ' A' ' 97' ' ' ASP . 13.9 mmmt -124.68 -178.28 4.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.948 ' O ' ' HB2' ' A' ' 104' ' ' TYR . 5.7 tt -62.47 -74.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.948 ' HB2' ' O ' ' A' ' 103' ' ' LEU . 29.5 m-85 103.2 73.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.599 ' O ' ' CD1' ' A' ' 94' ' ' PHE . 92.7 m-85 -73.7 116.66 14.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.4 p -64.97 151.7 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 92' ' ' LEU . 2.9 t -55.08 163.01 1.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.427 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.0 t -42.56 150.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 110.408 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.97 92.07 3.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -44.99 102.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -102.27 158.69 16.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 113' ' ' LEU . 8.4 m-20 -153.63 154.69 34.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 112' ' ' ASP . 33.1 tp -40.36 107.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -168.08 77.8 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 78.1 p 52.17 95.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 85.78 88.33 0.95 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -56.19 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.525 1.803 . . . . 0.0 111.038 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.81 170.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.973 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.7 t -175.68 88.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.007 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.36 147.71 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 0.736 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.95 -61.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.968 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.02 144.82 15.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 111.037 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 178.58 150.2 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 0.778 . . . . 0.0 109.984 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -168.46 143.09 3.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.15 147.75 7.28 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -77.0 -66.93 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 0.735 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.21 130.22 34.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -176.97 93.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.416 ' O ' ' O ' ' A' ' 12' ' ' LEU . 20.2 m120 -47.93 122.95 5.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.597 ' CD1' ' HA3' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -61.12 -143.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER 179.76 140.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.524 ' O ' ' CB ' ' A' ' 18' ' ' THR . 0.1 OUTLIER -37.88 -46.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.353 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.65 -45.95 70.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.597 ' HA3' ' CD1' ' A' ' 12' ' ' LEU . . . -60.27 -51.99 55.46 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.15 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.684 ' CD1' ' CD2' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -68.08 -28.06 67.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 0.787 . . . . 0.0 109.326 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.524 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 1.1 m -63.27 -56.19 18.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 110.423 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 18' ' ' THR . 21.0 t -38.3 -50.27 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.025 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 tp -57.17 -58.14 9.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.519 ' CD2' ' CB ' ' A' ' 52' ' ' ALA . 22.1 tp -43.44 -46.63 6.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.459 ' C ' HD21 ' A' ' 87' ' ' LEU . 3.3 p -43.98 -49.73 8.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.015 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 1.7 mm-40 -65.36 -32.39 74.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.565 ' HB3' ' CD2' ' A' ' 48' ' ' LEU . 3.7 mmtt -64.49 -43.36 94.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.472 ' CD1' ' HG ' ' A' ' 21' ' ' LEU . 4.8 mt -71.06 -45.69 70.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.477 ' HD2' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -59.5 -38.57 81.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 1.2 mm-40 -66.05 -41.34 90.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.664 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 81.6 t80 -55.45 -34.6 64.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.548 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -62.41 -51.05 69.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -65.8 -17.89 64.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -80.32 -49.61 11.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.605 ' HB2' ' SD ' ' A' ' 34' ' ' MET . 61.0 mmtt -83.55 -23.63 31.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' LEU . 4.5 mttt 60.12 66.49 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.605 ' SD ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -112.3 176.2 5.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -122.52 -6.6 8.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.317 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.2 p -168.56 146.51 4.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.51 ' CZ ' HD11 ' A' ' 29' ' ' LEU . 53.5 p90 -171.26 -177.18 2.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.585 ' CZ ' ' CD2' ' A' ' 103' ' ' LEU . 98.4 m-85 -125.41 150.13 47.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.415 1.072 . . . . 0.0 111.048 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.451 ' CG ' ' HB3' ' A' ' 80' ' ' PHE . 41.3 tt0 -53.94 -19.02 3.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -79.09 -14.73 58.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -82.92 -12.22 57.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 110.251 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.664 ' CD1' ' CD2' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -106.56 -21.98 12.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.432 ' O ' ' CD ' ' A' ' 49' ' ' GLN . 1.7 mm-40 -66.88 -21.25 66.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.5 p -85.42 -18.27 34.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.423 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.537 ' HB ' ' CD1' ' A' ' 48' ' ' LEU . 23.7 t -74.9 116.12 17.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 48' ' ' LEU . 1.0 OUTLIER -57.81 -64.56 0.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 46' ' ' GLU . 5.5 m -38.78 -29.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.565 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 92.9 mt -81.52 -60.09 2.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.552 ' O ' ' N ' ' A' ' 53' ' ' SER . 1.9 mt-30 -47.13 -45.57 22.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.05 -20.96 2.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.684 ' CD2' ' CD1' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -98.45 -54.65 2.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.519 ' CB ' ' CD2' ' A' ' 21' ' ' LEU . . . -67.02 -4.81 10.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.552 ' N ' ' O ' ' A' ' 49' ' ' GLN . 22.9 t -108.16 -14.65 14.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 2.7 mtt180 -47.03 155.75 0.61 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.515 ' O ' ' CB ' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.99 168.69 24.28 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.523 HG21 ' N ' ' A' ' 14' ' ' LEU . 1.3 p 162.63 151.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 t -85.6 135.49 33.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.373 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -176.73 -174.09 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.648 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 m -132.71 118.76 19.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.8 m -120.62 111.8 18.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -109.37 94.07 0.8 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.1 m -159.78 175.73 12.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 0.746 . . . . 0.0 109.983 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -176.39 -40.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 66' ' ' GLU . 19.4 mt-30 38.9 46.43 1.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 64' ' ' GLN . 7.6 p -38.56 98.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 64' ' ' GLN . 3.9 mt-10 -164.24 73.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 60.93 177.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.5 mmtm 65.76 155.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -69.15 -66.09 0.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.9 t 68.86 110.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -161.12 -105.38 0.2 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.7 t -76.53 -28.16 56.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 110.412 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.81 -33.97 75.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.957 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.514 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . -71.21 -45.26 50.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.468 ' HA ' ' CD ' ' A' ' 78' ' ' ARG . 61.4 t -44.67 -40.52 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.535 0.785 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.48 -42.41 98.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.514 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 8.2 mt-30 -53.22 -21.85 5.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.468 ' CD ' ' HA ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -86.25 -32.48 21.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.325 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.473 HG23 ' CD2' ' A' ' 14' ' ' LEU . 4.8 t -77.46 -37.77 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.476 ' CE2' ' CB ' ' A' ' 52' ' ' ALA . 5.5 m-85 -69.33 -48.39 61.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.42 -37.42 85.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.458 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 98.1 m-20 -77.14 -26.34 53.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.03 -54.49 11.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.454 ' CD2' HG22 ' A' ' 25' ' ' ILE . 21.7 mt -55.98 -46.38 78.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.53 -57.49 1.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.458 ' CD1' ' O ' ' A' ' 82' ' ' ASN . 1.0 OUTLIER -52.8 -47.96 67.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.459 HD21 ' C ' ' A' ' 22' ' ' SER . 56.3 mt -48.63 -42.87 35.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 0.0 OUTLIER -66.07 -26.23 67.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 86' ' ' LEU . 1.9 mm-40 -79.58 -26.21 41.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.245 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.4 -28.68 20.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 101.38 24.02 9.16 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.502 1.126 . . . . 0.0 111.052 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.477 ' CD1' ' HD2' ' A' ' 26' ' ' LYS . 4.9 mt -83.91 -41.76 17.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 88' ' ' GLN . 1.0 OUTLIER -137.35 172.97 13.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.654 ' CE1' ' CB ' ' A' ' 105' ' ' TYR . 26.7 p90 -163.88 152.65 13.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.407 ' OE1' ' CE1' ' A' ' 104' ' ' TYR . 9.2 mt-30 -105.97 119.65 39.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.556 ' HG3' ' CE1' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -74.78 -51.82 13.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -89.79 127.5 35.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.66 148.16 20.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.988 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.454 ' CA ' ' HG3' ' A' ' 102' ' ' LYS . . . 126.43 151.96 7.97 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.3 t -68.09 -65.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 0.735 . . . . 0.0 109.993 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -76.58 61.71 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.454 ' HG3' ' CA ' ' A' ' 99' ' ' GLY . 17.9 mmtt -113.77 -179.23 3.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.6 HD11 ' CD1' ' A' ' 105' ' ' TYR . 1.3 tm? -74.02 134.94 43.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.414 ' N ' HD12 ' A' ' 103' ' ' LEU . 63.9 m-85 -109.54 92.11 3.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.654 ' CB ' ' CE1' ' A' ' 94' ' ' PHE . 38.5 m-85 -71.08 142.05 50.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 111.008 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -101.55 155.81 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.507 ' O ' ' CG2' ' A' ' 108' ' ' THR . 11.8 t -75.23 151.8 38.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.507 ' CG2' ' O ' ' A' ' 107' ' ' THR . 14.5 t 51.03 175.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.406 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.41 -36.82 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.1 t0 44.46 80.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -162.94 -163.36 0.86 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 114' ' ' GLN . 3.4 m-20 -138.7 137.6 36.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 63.69 -79.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 112' ' ' ASP . 4.3 tm0? 71.28 117.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.16 . . . . 0.0 110.257 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.6 t -62.34 -179.81 0.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -102.08 119.29 6.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -175.72 2.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.521 1.8 . . . . 0.0 111.027 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.9 109.58 4.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.05 144.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.004 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -100.19 -58.67 1.86 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 0.746 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.7 p -172.81 85.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.021 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 41.31 -148.07 0.33 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.44 1.087 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.56 -58.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.742 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.99 154.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.031 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.46 155.53 8.33 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.461 1.101 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -105.84 94.38 5.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 0.747 . . . . 0.0 109.282 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 tttp -175.75 82.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -167.74 136.21 2.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -58.13 -174.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.7 mt -129.17 179.83 5.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.279 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.429 ' C ' HG21 ' A' ' 56' ' ' VAL . 17.5 t70 -171.09 159.39 5.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.506 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -40.05 -43.38 1.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.2 -49.55 23.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.6 -58.54 11.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.135 . . . . 0.0 111.025 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.733 ' CD1' ' CD2' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -60.26 -33.74 72.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 0.77 . . . . 0.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.5 ' OG1' ' CG1' ' A' ' 79' ' ' VAL . 1.2 m -63.73 -51.13 66.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.372 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 18' ' ' THR . 30.9 t -36.96 -37.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.026 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.407 ' HG ' ' CD1' ' A' ' 51' ' ' LEU . 3.1 tp -73.9 -55.47 6.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 52' ' ' ALA . 7.2 tp -40.32 -49.02 2.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.459 ' OG ' ' N ' ' A' ' 23' ' ' GLU . 1.3 p -37.72 -61.89 0.59 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.015 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.46 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 4.7 mt-10 -55.89 -42.4 75.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 110.34 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.522 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . 36.7 mmtt -53.39 -41.49 65.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.473 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 3.4 mt -73.05 -57.02 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.478 ' HB2' ' HG ' ' A' ' 92' ' ' LEU . 0.6 OUTLIER -50.83 -36.14 35.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 23' ' ' GLU . 3.2 mm-40 -70.31 -39.89 74.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.551 ' CD2' HD21 ' A' ' 42' ' ' LEU . 53.4 t80 -57.42 -25.92 60.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.563 HD23 ' CE2' ' A' ' 37' ' ' PHE . 8.5 mt -75.34 -47.81 25.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -64.74 -11.19 33.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -94.22 -48.39 6.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.354 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.439 ' HB2' ' CG ' ' A' ' 34' ' ' MET . 62.3 mmtt -81.95 -13.36 57.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' LEU . 14.0 mmtt 52.5 62.67 2.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.439 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -114.71 171.67 7.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 110.988 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -131.45 9.87 4.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.7 p -167.4 143.2 4.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.985 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.563 ' CE2' HD23 ' A' ' 29' ' ' LEU . 14.1 p90 -177.63 161.79 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.577 ' CE2' ' CD2' ' A' ' 103' ' ' LEU . 58.5 m-85 -111.46 157.71 19.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.505 ' OE1' ' CB ' ' A' ' 81' ' ' LYS . 28.6 tt0 -61.0 -29.22 69.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -70.76 -31.89 68.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.3 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -68.34 -17.81 64.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.551 HD21 ' CD2' ' A' ' 28' ' ' PHE . 10.4 mt -101.87 -20.82 14.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.48 ' OE2' ' CD2' ' A' ' 80' ' ' PHE . 5.3 mm-40 -67.59 -24.35 65.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.6 p -96.62 6.93 47.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.432 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.577 HG11 ' CD2' ' A' ' 48' ' ' LEU . 85.8 t -92.48 127.96 44.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 47' ' ' SER . 13.6 mm-40 -62.84 -63.0 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -35.05 -52.88 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.611 ' HB3' ' CE1' ' A' ' 80' ' ' PHE . 1.6 mm? -64.7 -66.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.58 ' O ' ' N ' ' A' ' 53' ' ' SER . 3.3 mm-40 -39.77 -53.02 2.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 110.35 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.96 -27.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.733 ' CD2' ' CD1' ' A' ' 17' ' ' LEU . 2.1 tt -98.91 -60.53 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.473 ' HB3' ' CD2' ' A' ' 21' ' ' LEU . . . -54.23 -14.38 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.58 ' N ' ' O ' ' A' ' 49' ' ' GLN . 24.4 p -91.39 -17.6 25.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.04 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.516 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.5 OUTLIER -47.23 152.46 1.07 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.465 ' O ' ' CB ' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.03 168.46 24.78 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.521 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 0.8 OUTLIER 165.73 150.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 109.279 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -41.94 117.21 0.92 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' A' ' 56' ' ' VAL . 0.1 OUTLIER 179.17 176.88 0.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.605 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.23 139.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.4 m 62.42 128.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.406 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -144.0 175.52 23.81 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.459 1.099 . . . . 0.0 111.045 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.9 m -144.95 144.8 31.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 0.785 . . . . 0.0 109.996 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -93.58 -60.07 1.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 69.25 55.47 0.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.1 p -142.54 123.36 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -75.7 57.23 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 mt -141.81 168.76 18.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.35 110.88 10.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -179.59 152.94 0.53 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 96.3 p -165.97 171.12 12.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.43 -170.3 53.7 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.1 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -49.88 133.8 21.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 0.793 . . . . 0.0 110.447 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 171.22 -36.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 110.053 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.521 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . -65.75 -52.68 36.35 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.477 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 9.1 p -38.52 -55.12 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 109.314 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -53.8 -45.19 70.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.521 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 7.2 mt-30 -52.45 -26.31 12.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.477 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -82.82 -31.31 28.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.277 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.5 ' CG1' ' OG1' ' A' ' 18' ' ' THR . 16.0 t -82.42 -36.93 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.611 ' CE1' ' HB3' ' A' ' 48' ' ' LEU . 6.3 m-85 -66.01 -50.2 65.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.505 ' CB ' ' OE1' ' A' ' 39' ' ' GLN . 0.1 OUTLIER -63.68 -42.84 97.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.467 ' CB ' HG21 ' A' ' 18' ' ' THR . 62.4 m-20 -62.21 -46.74 87.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.473 ' HB1' ' CD1' ' A' ' 25' ' ' ILE . . . -52.82 -43.98 66.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.523 HD13 ' CZ ' ' A' ' 104' ' ' TYR . 25.5 mt -59.67 -38.48 81.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.72 -57.29 12.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 110.268 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.04 -42.33 72.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.459 ' CD1' HG21 ' A' ' 25' ' ' ILE . 6.0 mt -51.52 -48.47 62.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 5.2 mt-30 -59.17 -27.12 65.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -82.91 -27.31 30.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.508 ' CB ' ' CD2' ' A' ' 92' ' ' LEU . 5.3 mttm -87.64 -3.38 58.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.23 13.13 81.34 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.508 ' CD2' ' CB ' ' A' ' 90' ' ' LYS . 4.3 mm? -67.56 -54.46 19.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 0.79 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 88' ' ' GLN . 5.3 m -128.72 180.0 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 105' ' ' TYR . 10.7 p90 -162.36 142.94 10.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.147 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.403 ' NE2' ' O ' ' A' ' 99' ' ' GLY . 81.3 mt-30 -101.2 136.7 40.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -96.3 -62.12 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.461 ' CB ' ' HE3' ' A' ' 102' ' ' LYS . 33.4 m-20 -73.73 -18.56 60.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.3 m 61.97 135.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.403 ' O ' ' NE2' ' A' ' 95' ' ' GLN . . . 148.36 152.77 5.78 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.461 1.1 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.4 m -87.92 46.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 110.032 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -178.44 42.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.461 ' HE3' ' CB ' ' A' ' 97' ' ' ASP . 9.3 mmmt -130.13 158.01 40.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.577 ' CD2' ' CE2' ' A' ' 38' ' ' TYR . 1.7 tm? -60.8 133.75 56.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.523 ' CZ ' HD13 ' A' ' 84' ' ' LEU . 68.7 m-85 -94.6 112.23 23.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.575 ' CD1' HD12 ' A' ' 103' ' ' LEU . 19.8 m-30 -85.91 129.85 34.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.492 ' CG1' ' CD1' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -80.89 164.7 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 92' ' ' LEU . 5.0 t -89.78 -46.09 8.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.388 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.534 ' O ' ' C ' ' A' ' 109' ' ' LYS . 0.6 OUTLIER 59.96 161.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.437 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.534 ' C ' ' O ' ' A' ' 108' ' ' THR . 0.2 OUTLIER 30.28 73.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -173.98 -40.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 50.68 -166.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 90' ' ' LYS . 0.1 OUTLIER 173.85 132.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.6 mp 61.24 178.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.61 127.21 32.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 38.9 p -143.58 169.02 18.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -121.04 96.5 0.6 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 179.77 5.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.791 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.5 t -174.8 -49.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.037 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 43.9 t 60.55 117.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -112.78 164.07 13.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 0.793 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -173.23 165.89 4.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.043 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.57 131.7 6.7 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.472 1.108 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.2 t -176.46 83.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 110.001 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.11 176.69 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.015 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.31 115.66 1.58 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -164.84 114.59 1.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.757 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.12 142.18 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -165.62 160.13 17.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -138.19 164.82 28.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.554 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 12.6 mt -115.25 -114.0 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.554 ' CB ' ' O ' ' A' ' 12' ' ' LEU . 3.8 m-20 86.33 157.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.491 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -37.33 -35.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.413 ' O ' ' HB ' ' A' ' 18' ' ' THR . . . -77.84 -53.26 7.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -57.7 -55.96 27.71 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.511 ' CD2' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -56.99 -30.03 63.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.48 ' CG2' ' HB3' ' A' ' 82' ' ' ASN . 0.9 OUTLIER -66.01 -59.62 3.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.431 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.4 ' N ' HG21 ' A' ' 18' ' ' THR . 23.0 t -43.14 -29.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.48 ' CD1' HD21 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -77.94 -53.43 7.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 24' ' ' LYS . 11.8 tp -44.08 -45.18 7.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.505 ' HB2' ' CD1' ' A' ' 87' ' ' LEU . 10.8 p -43.7 -51.86 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 3.1 mt-10 -63.32 -28.46 70.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.508 ' HB3' ' CD2' ' A' ' 48' ' ' LEU . 23.9 mmtt -71.3 -38.63 71.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.476 ' CG2' ' CD1' ' A' ' 42' ' ' LEU . 4.1 mt -76.18 -44.59 36.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.511 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -56.99 -40.09 75.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.331 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.511 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 3.4 mm-40 -64.41 -40.44 95.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.599 ' CE2' ' HG3' ' A' ' 32' ' ' LYS . 56.3 t80 -59.36 -34.8 72.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.551 ' HA ' ' SD ' ' A' ' 34' ' ' MET . 0.1 OUTLIER -61.11 -47.57 85.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -72.72 -15.72 61.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -83.63 -40.5 18.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.599 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 14.6 mmtp -93.54 -23.05 18.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' LEU . 62.1 mmtt 58.45 67.25 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.569 ' SD ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -109.93 175.98 5.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.943 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -126.38 -1.51 6.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.7 p -169.47 142.23 2.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.529 ' CZ ' HD23 ' A' ' 29' ' ' LEU . 27.8 p90 -169.78 163.41 9.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.541 ' CE2' HD23 ' A' ' 103' ' ' LEU . 42.5 m-85 -111.13 156.0 22.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.523 ' OE1' ' CB ' ' A' ' 81' ' ' LYS . 12.9 tt0 -54.34 -32.55 57.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.417 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 5.3 pt20 -71.66 -41.59 68.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.417 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 3.1 mm-40 -55.65 -18.41 7.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.476 ' CD1' ' CG2' ' A' ' 25' ' ' ILE . 10.4 mt -99.9 -20.94 15.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.431 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 1.0 OUTLIER -68.28 -9.01 44.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.5 p -94.95 -9.35 34.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.396 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.445 HG13 ' CD1' ' A' ' 28' ' ' PHE . 23.6 t -80.72 100.62 5.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -47.69 -58.96 3.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 110.336 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.8 m -40.5 -42.31 1.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.508 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 85.1 mt -73.25 -56.13 5.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.0 mt-30 -46.19 -42.48 14.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.59 -24.46 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.48 HD21 ' CD1' ' A' ' 20' ' ' LEU . 4.0 tp -99.1 -47.19 5.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.443 ' O ' ' HA ' ' A' ' 76' ' ' ALA . . . -68.58 -3.01 10.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' GLN . 30.0 t -109.41 -12.56 14.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 0.0 110.033 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -41.03 152.98 0.24 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.355 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.523 ' O ' ' C ' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.02 -29.98 7.62 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.496 1.787 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.552 ' CG2' ' N ' ' A' ' 57' ' ' THR . 1.2 p 30.2 -99.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.552 ' N ' ' CG2' ' A' ' 56' ' ' VAL . 1.8 t -174.3 119.73 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.382 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.4 ' NE2' HG12 ' A' ' 56' ' ' VAL . 1.5 p80 -171.43 163.4 6.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.613 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.16 88.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.1 m -163.74 148.63 10.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.415 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.64 165.72 29.46 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.491 1.12 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.9 t -114.33 -69.38 0.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 110.036 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.21 125.39 13.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.16 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.532 ' O ' ' O ' ' A' ' 65' ' ' VAL . 12.4 mm-40 -75.27 -0.39 19.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.572 ' O ' ' CB ' ' A' ' 66' ' ' GLU . 4.2 p 44.81 102.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.572 ' CB ' ' O ' ' A' ' 65' ' ' VAL . 10.6 tt0 91.36 27.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.503 ' CD1' ' O ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -85.98 45.2 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt 58.19 -177.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.77 -56.07 5.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.233 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.77 156.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.34 -76.34 1.06 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.421 ' O ' ' CG2' ' A' ' 72' ' ' THR . 8.9 t -72.77 73.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.77 . . . . 0.0 110.409 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.7 t -133.73 68.73 1.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.947 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.482 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . -173.4 -52.14 0.05 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.492 1.12 . . . . 0.0 110.968 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.448 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 58.2 t -43.9 -45.09 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 0.787 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.443 ' HA ' ' O ' ' A' ' 52' ' ' ALA . . . -60.0 -40.94 90.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.352 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.494 ' NE2' ' NE2' ' A' ' 39' ' ' GLN . 5.0 mm-40 -57.83 -23.2 51.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 0.1 OUTLIER -83.58 -31.08 26.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.9 t -80.36 -39.71 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.489 ' HB3' ' CG ' ' A' ' 39' ' ' GLN . 2.1 m-85 -66.96 -59.03 3.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.523 ' CB ' ' OE1' ' A' ' 39' ' ' GLN . 2.4 ptpt -48.79 -37.98 20.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.378 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.48 ' HB3' ' CG2' ' A' ' 18' ' ' THR . 92.6 m-20 -65.88 -52.19 52.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.462 ' O ' HD22 ' A' ' 87' ' ' LEU . . . -41.05 -64.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.59 ' HB3' ' CE1' ' A' ' 104' ' ' TYR . 3.8 mm? -38.25 -49.16 1.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.47 -49.13 56.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 83' ' ' ALA . 3.0 mm? -58.18 -55.4 35.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.565 HD11 ' N ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -44.22 -56.79 3.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.153 . . . . 0.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.492 ' HG2' ' CG2' ' A' ' 93' ' ' VAL . 0.2 OUTLIER -54.87 -30.17 57.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 110.277 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 86' ' ' LEU . 65.4 mm-40 -77.7 -25.54 49.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.22 -29.04 16.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 107' ' ' THR . . . 103.79 22.04 9.22 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.478 ' CD1' HD13 ' A' ' 87' ' ' LEU . 3.7 mt -83.33 -37.59 23.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.492 ' CG2' ' HG2' ' A' ' 88' ' ' GLN . 3.8 m -139.76 175.28 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 105' ' ' TYR . 25.9 p90 -164.45 151.5 11.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.971 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.614 ' CD ' ' CE1' ' A' ' 104' ' ' TYR . 58.8 mt-30 -114.72 127.13 55.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.571 ' HG3' ' CE2' ' A' ' 105' ' ' TYR . 0.5 OUTLIER -91.67 48.63 1.48 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 98' ' ' SER . 0.6 OUTLIER 173.32 89.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 97' ' ' ASP . 1.0 OUTLIER -37.83 106.61 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.973 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -175.47 168.46 40.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.26 -56.97 3.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -86.92 68.84 10.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -128.11 159.69 34.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.541 HD23 ' CE2' ' A' ' 38' ' ' TYR . 1.7 tm? -69.76 131.12 44.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.614 ' CE1' ' CD ' ' A' ' 95' ' ' GLN . 53.0 m-85 -97.93 111.68 23.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.578 ' HB2' ' CE1' ' A' ' 94' ' ' PHE . 33.1 m-85 -88.18 144.02 26.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.45 ' O ' ' CE2' ' A' ' 94' ' ' PHE . 1.3 t -76.15 162.11 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 92' ' ' LEU . 13.5 t -87.51 -35.29 18.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.375 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 107' ' ' THR . 9.3 t 36.79 49.43 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.406 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 108' ' ' THR . 10.7 tttt 39.98 51.12 2.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.254 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -169.68 112.35 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.81 163.94 31.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -137.1 -51.18 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.252 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 74.73 -66.63 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -45.64 120.51 2.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 93.9 p -136.34 152.67 50.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -52.51 130.62 38.57 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -42.32 0.52 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.462 1.77 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 67.7 m 56.59 81.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.67 130.1 56.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.958 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -172.31 158.88 4.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 0.723 . . . . 0.0 110.034 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.79 128.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.023 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.67 -140.63 0.27 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -155.95 -60.12 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 0.775 . . . . 0.0 109.999 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 44.05 88.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.042 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.94 159.07 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.121 . . . . 0.0 111.054 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -118.85 -63.93 1.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 0.777 . . . . 0.0 109.303 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.43 73.77 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -72.95 101.14 3.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -65.13 121.64 15.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 109.346 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.23 -173.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.505 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 22.5 t70 174.24 154.69 0.12 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.505 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -40.59 -29.73 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.45 ' N ' ' C ' ' A' ' 13' ' ' ASP . . . -91.47 -41.03 11.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -64.43 -51.11 55.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.686 ' CD1' ' CD2' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -69.05 -23.8 64.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.46 HG21 ' N ' ' A' ' 19' ' ' SER . 0.9 OUTLIER -66.03 -60.87 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 110.362 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.46 ' N ' HG21 ' A' ' 18' ' ' THR . 24.6 t -37.76 -36.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.965 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.532 ' CD2' ' C ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -68.99 -55.73 9.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.5 HD21 ' CB ' ' A' ' 52' ' ' ALA . 16.4 tp -45.36 -50.14 12.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.491 ' HB2' ' CD1' ' A' ' 87' ' ' LEU . 4.9 p -41.54 -50.87 4.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.986 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 7.0 mt-10 -62.5 -33.68 75.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 21' ' ' LEU . 2.2 mmpt? -66.12 -44.42 84.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.472 HG21 ' CD1' ' A' ' 42' ' ' LEU . 7.3 mt -72.33 -53.88 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.38 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.522 ' HD2' ' CD1' ' A' ' 92' ' ' LEU . 1.5 pttm -47.41 -37.4 11.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 23' ' ' GLU . 2.5 mm-40 -68.81 -43.0 76.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.462 ' CE1' ' HE3' ' A' ' 32' ' ' LYS . 62.1 t80 -56.96 -21.03 27.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 111.04 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.561 ' CD2' ' CE2' ' A' ' 37' ' ' PHE . 11.6 mt -81.22 -48.24 12.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -65.22 -10.47 31.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -94.54 -50.4 5.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.462 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 16.7 mmtp -82.34 -18.16 43.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.51 ' N ' ' O ' ' A' ' 29' ' ' LEU . 1.2 mttt 50.28 67.44 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.523 ' SD ' ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -102.1 170.96 7.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 0.0 110.98 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -120.56 -7.3 9.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.37 143.14 2.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.98 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.561 ' CE2' ' CD2' ' A' ' 29' ' ' LEU . 8.5 p90 -169.26 171.96 7.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.572 ' CE2' HD23 ' A' ' 103' ' ' LEU . 37.4 m-85 -115.68 151.29 35.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.483 ' HB2' ' CE2' ' A' ' 104' ' ' TYR . 2.3 tt0 -57.2 -34.65 68.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.278 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.464 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 5.6 pt20 -67.17 -44.04 80.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.464 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 4.9 mm-40 -52.66 -21.73 4.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.472 ' CD1' HG21 ' A' ' 25' ' ' ILE . 12.4 mt -94.8 -23.0 17.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.536 ' HA ' ' CZ ' ' A' ' 80' ' ' PHE . 1.5 mm-40 -65.19 -11.88 45.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.4 p -93.32 -9.57 38.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.399 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.1 t -83.84 119.48 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 47' ' ' SER . 0.1 OUTLIER -60.12 -60.12 4.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 110.293 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' GLU . 64.7 m -38.36 -36.82 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.979 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 44.3 mt -79.83 -60.65 2.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.558 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.1 mt-30 -45.84 -47.3 15.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.258 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.65 -22.09 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.686 ' CD2' ' CD1' ' A' ' 17' ' ' LEU . 1.2 tt -98.73 -57.83 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.308 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.5 ' CB ' HD21 ' A' ' 21' ' ' LEU . . . -61.23 -11.51 9.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.558 ' N ' ' O ' ' A' ' 49' ' ' GLN . 55.6 m -95.62 -21.43 18.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.522 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 3.4 mtt180 -44.56 154.79 0.4 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.45 ' O ' ' CB ' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.02 170.33 20.66 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.505 ' CG2' ' HA ' ' A' ' 13' ' ' ASP . 0.7 OUTLIER 167.1 151.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.0 t -84.57 127.78 34.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.413 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -175.54 173.25 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.564 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.9 -52.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.2 t -61.95 147.85 45.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.43 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 137.44 99.84 0.53 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.8 m -123.33 -61.94 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 110.024 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER 62.47 135.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -61.95 79.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 63' ' ' ASP . 14.0 p -165.0 135.83 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -110.72 47.98 0.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.55 102.6 11.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.83 162.96 33.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.5 t70 175.57 127.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 70.55 169.19 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.96 -80.16 1.0 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.447 1.092 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.9 p -70.96 60.52 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 0.781 . . . . 0.0 110.402 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.37 -50.02 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.064 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.508 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . -51.42 -53.74 27.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.45 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 11.7 p -43.37 -53.65 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.431 ' N ' ' CG1' ' A' ' 75' ' ' VAL . . . -58.37 -36.64 73.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.508 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 8.8 mt-30 -60.84 -19.22 59.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.457 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 3.5 mpt_? -88.91 -34.27 17.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.449 HG23 ' CD2' ' A' ' 14' ' ' LEU . 22.1 t -76.8 -37.61 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.536 ' CZ ' ' HA ' ' A' ' 43' ' ' GLU . 1.7 m-85 -66.06 -60.61 2.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.96 -37.47 44.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 78' ' ' ARG . 90.0 m-20 -65.26 -51.73 58.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.457 ' O ' HD22 ' A' ' 87' ' ' LEU . . . -41.33 -64.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.588 ' HB3' ' CE1' ' A' ' 104' ' ' TYR . 3.9 mm? -38.15 -50.4 1.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.41 ' NE2' ' HA ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -48.28 -52.3 21.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' A' ' 89' ' ' GLU . 3.0 mm? -55.93 -57.47 11.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.589 HD11 ' N ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -43.21 -58.81 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.484 ' HG2' ' CG2' ' A' ' 93' ' ' VAL . 0.0 OUTLIER -51.02 -40.98 59.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 86' ' ' LEU . 2.1 mt-10 -63.16 -25.3 68.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.48 -30.23 15.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.411 ' O ' ' CB ' ' A' ' 107' ' ' THR . . . 105.23 21.33 8.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.522 ' CD1' ' HD2' ' A' ' 26' ' ' LYS . 2.4 mt -80.51 -41.85 23.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.484 ' CG2' ' HG2' ' A' ' 88' ' ' GLN . 5.6 m -136.41 172.98 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.569 ' CD1' ' HB2' ' A' ' 105' ' ' TYR . 32.7 p90 -163.61 150.52 12.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.576 ' CD ' ' CE1' ' A' ' 104' ' ' TYR . 69.2 mt-30 -120.85 121.23 37.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -75.61 -50.02 16.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.24 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -84.28 107.68 16.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.87 114.02 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 170.81 130.08 1.18 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.2 t -52.88 -48.48 67.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 0.737 . . . . 0.0 110.035 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -88.35 61.08 6.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -123.96 166.9 14.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.596 HD12 ' CE1' ' A' ' 105' ' ' TYR . 1.6 tm? -78.22 131.63 37.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.588 ' CE1' ' HB3' ' A' ' 84' ' ' LEU . 59.7 m-85 -94.52 120.42 34.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.596 ' CE1' HD12 ' A' ' 103' ' ' LEU . 19.8 m-85 -93.51 139.19 31.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -83.24 164.18 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 92' ' ' LEU . 2.7 t -94.95 179.02 5.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 13.1 t 46.78 -172.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.387 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -90.43 -69.07 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 174.97 -176.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -73.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 113' ' ' LEU . 0.0 OUTLIER -136.5 152.6 50.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 112' ' ' ASP . 0.5 OUTLIER -39.71 107.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -178.12 62.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 88.7 p -170.36 169.63 7.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.997 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -73.11 -153.12 2.18 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -179.07 4.64 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.2 p -173.26 169.53 4.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.64 100.15 4.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.043 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.82 133.27 39.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 109.966 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 p -175.43 163.83 3.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.999 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.72 -172.83 34.45 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.32 170.97 7.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.754 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.46 101.97 4.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.949 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 39.62 -159.68 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 176.9 103.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 0.738 . . . . 0.0 109.266 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -157.37 -165.65 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -167.89 -42.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 10' ' ' ASP . 20.2 m-20 -38.26 97.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 10' ' ' ASP . 0.7 OUTLIER -51.05 -179.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.568 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 4.9 m-20 -178.14 161.68 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -41.78 -34.58 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.61 -33.42 13.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -65.5 -46.34 85.65 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.624 ' CD1' ' CD2' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -72.68 -42.95 63.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 0.751 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.497 ' OG1' ' CG1' ' A' ' 79' ' ' VAL . 1.3 m -50.02 -51.22 43.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.4 ' O ' ' OG ' ' A' ' 22' ' ' SER . 2.3 t -39.99 -38.5 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.463 ' HG ' ' CD1' ' A' ' 51' ' ' LEU . 1.4 tp -70.65 -56.52 6.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.58 ' O ' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -40.17 -50.44 2.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 21' ' ' LEU . 43.9 p -33.61 -58.53 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.05 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 5.4 mm-40 -59.8 -39.02 83.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.58 ' N ' ' O ' ' A' ' 21' ' ' LEU . 3.8 mmpt? -61.8 -48.78 79.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.541 ' CD1' ' CD1' ' A' ' 21' ' ' LEU . 5.3 mt -68.86 -40.95 81.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.348 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.49 ' HD2' ' CD2' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -64.97 -40.42 94.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 23' ' ' GLU . 1.4 mm-40 -61.2 -38.67 87.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 110.329 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.703 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 89.0 t80 -57.7 -37.75 74.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.539 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -59.8 -48.62 80.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -70.42 -16.55 62.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.286 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.77 -40.68 22.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.582 ' HB2' ' SD ' ' A' ' 34' ' ' MET . 13.3 mmtp -94.54 -23.5 17.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' A' ' 29' ' ' LEU . 5.8 mttt 59.23 67.55 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.582 ' SD ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -112.38 173.86 6.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 111.038 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -120.97 -5.49 9.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.478 ' CB ' HD12 ' A' ' 103' ' ' LEU . 0.2 OUTLIER -168.82 138.53 2.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.465 ' CE1' HD23 ' A' ' 42' ' ' LEU . 33.1 p90 -162.19 -174.75 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.662 ' CE2' ' CD2' ' A' ' 103' ' ' LEU . 97.5 m-85 -127.79 149.45 50.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.517 ' CG ' ' HB3' ' A' ' 80' ' ' PHE . 41.0 tt0 -54.5 -18.82 4.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -80.57 -13.72 58.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.31 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -82.41 -12.28 58.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.703 ' CD1' ' CD2' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -105.02 -21.73 13.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.483 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 1.2 mt-10 -68.87 -17.97 64.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.9 p -88.76 -16.65 31.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 110.409 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.518 HG23 ' CE1' ' A' ' 28' ' ' PHE . 21.7 t -80.63 113.3 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' LEU . 1.5 mt-10 -54.44 -62.99 1.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.1 m -39.09 -31.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.011 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.521 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 81.1 mt -82.98 -61.02 1.97 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.0 mm-40 -46.5 -47.05 19.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.96 -20.93 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.624 ' CD2' ' CD1' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -98.69 -54.72 2.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.493 ' HB3' ' CE2' ' A' ' 80' ' ' PHE . . . -65.82 -6.09 10.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 49' ' ' GLN . 49.9 m -104.84 -21.64 13.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 2.3 mtt180 -40.11 156.5 0.17 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.478 ' C ' ' CG2' ' A' ' 56' ' ' VAL . 18.3 Cg_endo -75.01 165.55 31.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.791 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.568 ' CG1' ' HA ' ' A' ' 13' ' ' ASP . 1.5 t -153.24 -152.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.447 ' CG2' ' OD1' ' A' ' 13' ' ' ASP . 8.6 p -86.5 65.05 8.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.39 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -143.24 167.47 22.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.619 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.84 82.77 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.994 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.5 m -113.3 -58.8 2.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.431 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.16 -89.96 1.23 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.536 1.147 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.2 p -55.02 171.45 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 0.791 . . . . 0.0 110.009 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -170.16 -49.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 59.16 53.96 5.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.0 p -156.32 133.97 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 59.28 52.7 5.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 mp -52.5 -67.99 0.21 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -74.08 82.16 1.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 169.76 -54.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.44 165.27 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -107.68 59.27 0.38 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.5 t -167.19 56.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.768 . . . . 0.0 110.402 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -95.03 152.98 17.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.044 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.92 -50.61 4.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.427 ' CG1' ' N ' ' A' ' 76' ' ' ALA . 14.7 p -56.61 -55.68 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.427 ' N ' ' CG1' ' A' ' 75' ' ' VAL . . . -60.53 -34.85 74.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -57.9 -19.73 31.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.525 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 67.1 mtt180 -89.78 -35.96 15.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.497 ' CG1' ' OG1' ' A' ' 18' ' ' THR . 7.1 t -72.88 -41.01 60.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.517 ' HB3' ' CG ' ' A' ' 39' ' ' GLN . 2.2 m-85 -65.89 -37.26 85.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 111.034 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.51 ' CB ' ' OE1' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -78.57 -39.57 37.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' A' ' 78' ' ' ARG . 92.7 m-20 -74.27 -27.25 60.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.513 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . . . -71.17 -33.84 70.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.46 HD11 ' CE2' ' A' ' 104' ' ' TYR . 16.5 mt -72.32 -43.38 64.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.428 ' O ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -43.02 -52.7 5.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.336 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.412 ' CD1' HG21 ' A' ' 18' ' ' THR . 1.2 mp -55.27 -46.48 76.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' A' ' 26' ' ' LYS . 86.8 mt -49.76 -40.04 39.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.435 ' OE1' ' CA ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -66.86 -28.73 68.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.263 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -75.39 -28.7 59.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -85.05 -30.64 23.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.82 18.25 12.94 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.49 ' CD2' ' HD2' ' A' ' 26' ' ' LYS . 1.4 mt -76.91 -45.88 26.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 0.739 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.424 ' CG2' ' OE1' ' A' ' 88' ' ' GLN . 1.3 m -133.08 176.19 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.59 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 11.5 p90 -162.94 153.15 16.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.528 ' NE2' ' CE2' ' A' ' 104' ' ' TYR . 15.6 mm-40 -117.25 140.79 49.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -103.53 -67.49 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.243 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.461 ' O ' ' O ' ' A' ' 98' ' ' SER . 0.3 OUTLIER -85.93 76.21 9.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.461 ' O ' ' O ' ' A' ' 97' ' ' ASP . 30.7 m 35.6 92.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.49 ' HA3' ' CG ' ' A' ' 95' ' ' GLN . . . -61.45 -134.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.556 ' O ' ' CB ' ' A' ' 101' ' ' ASP . 20.9 t 70.16 23.46 5.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 109.982 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 100' ' ' SER . 1.0 OUTLIER 152.33 -23.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.471 ' HB3' ' HA2' ' A' ' 99' ' ' GLY . 4.9 tppt? -78.52 152.34 32.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.662 ' CD2' ' CE2' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -37.11 122.91 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.528 ' CE2' ' NE2' ' A' ' 95' ' ' GLN . 51.2 m-85 -94.93 112.14 23.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.59 ' HB3' ' CZ ' ' A' ' 94' ' ' PHE . 20.6 m-30 -78.24 128.42 33.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -105.52 153.52 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.5 t -53.42 132.87 40.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.408 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -40.8 -59.77 1.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.39 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.7 53.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -60.43 -52.1 66.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 58.29 160.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -166.47 88.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 66.23 140.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -165.97 -164.72 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -170.05 79.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.004 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 158.82 147.89 5.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -163.05 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.01 172.87 12.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.989 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.9 p -107.19 154.33 21.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.022 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 p -113.84 -58.42 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.788 . . . . 0.0 110.001 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.4 t 179.25 -58.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.985 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.22 -154.9 26.0 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 t -160.61 110.78 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.999 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.8 -60.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.91 -52.79 11.18 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 58.61 88.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -168.23 -177.98 3.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.248 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -100.99 95.01 6.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -51.44 129.5 25.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.7 mt -120.82 167.6 12.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.539 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 17.6 t70 -156.16 156.49 34.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.499 ' N ' ' CG1' ' A' ' 56' ' ' VAL . 0.2 OUTLIER -42.71 -36.3 1.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.38 -46.78 19.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.06 -54.48 37.08 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.46 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -58.52 -42.17 87.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.475 ' CG2' ' HB3' ' A' ' 82' ' ' ASN . 1.2 m -56.31 -58.93 5.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.391 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 18' ' ' THR . 7.4 t -36.89 -38.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.029 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 21' ' ' LEU . 1.9 tp -70.13 -57.98 4.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.549 ' HA ' ' CD2' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -37.71 -55.04 1.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.523 ' CA ' HD12 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -37.6 -54.85 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.006 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.486 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 6.0 mt-10 -62.37 -35.36 78.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.346 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.535 ' N ' ' O ' ' A' ' 21' ' ' LEU . 23.6 mmtt -66.77 -53.17 35.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.61 ' CD1' ' CB ' ' A' ' 83' ' ' ALA . 13.1 mt -59.64 -47.79 89.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.502 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -55.84 -39.88 72.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.502 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 3.3 mm-40 -60.49 -40.61 91.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.594 ' CE1' ' HE3' ' A' ' 32' ' ' LYS . 58.6 t80 -58.53 -38.81 78.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.515 ' N ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -56.87 -49.27 76.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -73.09 -15.46 61.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.32 -38.23 22.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.594 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 12.7 mmtp -96.02 -23.68 16.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' LEU . 3.9 mptt 59.07 67.0 0.96 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.548 ' SD ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -109.56 176.23 5.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -122.27 -6.6 8.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.294 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 p -168.51 148.37 4.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.983 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.486 ' CE2' ' CD1' ' A' ' 29' ' ' LEU . 31.1 p90 -174.31 171.69 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.592 ' CE2' ' CD2' ' A' ' 103' ' ' LEU . 51.9 m-85 -116.32 148.31 40.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.521 ' CG ' ' HB3' ' A' ' 80' ' ' PHE . 2.9 tt0 -50.13 -35.48 26.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -68.98 -40.36 78.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.419 ' CG ' ' HB2' ' A' ' 38' ' ' TYR . 4.5 mm-40 -56.04 -18.15 8.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.25 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.494 ' CD1' ' CG2' ' A' ' 25' ' ' ILE . 13.6 mt -100.29 -21.52 15.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.51 ' HA ' ' CZ ' ' A' ' 80' ' ' PHE . 0.9 OUTLIER -64.03 -12.2 36.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.3 p -94.28 -6.78 43.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.365 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.569 ' CG2' ' CE1' ' A' ' 28' ' ' PHE . 54.8 t -85.12 104.82 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.22 -52.97 57.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.7 m -46.41 -26.77 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 14.2 mt -93.75 -60.26 1.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 53' ' ' SER . 1.9 mm-40 -42.37 -44.55 3.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.03 -25.7 0.23 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.549 ' CD2' ' HA ' ' A' ' 21' ' ' LEU . 2.6 tp -97.95 -47.23 5.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.519 ' CB ' ' CE2' ' A' ' 80' ' ' PHE . . . -65.35 -6.71 10.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 49' ' ' GLN . 26.5 t -113.59 -12.71 12.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -51.7 158.46 1.57 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.454 ' C ' ' CG2' ' A' ' 56' ' ' VAL . 18.4 Cg_endo -75.0 169.35 22.82 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.539 ' CG1' ' HA ' ' A' ' 13' ' ' ASP . 1.8 t -151.92 -140.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.9 t -108.31 39.03 2.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.419 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -106.12 166.77 10.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.604 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.6 t -134.84 -49.36 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.017 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.3 t -166.32 146.44 6.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.402 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -164.09 -173.76 33.12 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.6 m -106.79 -175.8 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 109.999 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -111.26 -68.48 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 65.05 53.72 1.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 67' ' ' LEU . 53.6 t -137.13 120.83 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -68.81 64.94 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 65' ' ' VAL . 0.4 OUTLIER -160.56 -173.56 4.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.07 100.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.52 170.19 12.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 26.9 m 67.18 125.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 108.2 121.86 4.65 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.474 1.109 . . . . 0.0 110.962 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 49.6 p -46.07 126.94 8.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 0.759 . . . . 0.0 110.333 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.96 -53.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.965 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 77' ' ' GLN . . . -46.37 -56.21 7.29 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.441 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 48.3 t -43.45 -44.24 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.533 0.784 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.421 ' HA ' ' O ' ' A' ' 52' ' ' ALA . . . -62.51 -40.9 98.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 74' ' ' GLY . 7.5 mt-30 -56.04 -18.04 8.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.471 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -90.39 -33.8 15.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.7 t -78.01 -39.83 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.521 ' HB3' ' CG ' ' A' ' 39' ' ' GLN . 1.7 m-85 -68.69 -57.51 5.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.58 -36.76 56.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.475 ' HB3' ' CG2' ' A' ' 18' ' ' THR . 75.7 m-20 -67.21 -49.57 64.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.61 ' CB ' ' CD1' ' A' ' 25' ' ' ILE . . . -44.49 -63.16 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.479 ' HG ' ' CE2' ' A' ' 104' ' ' TYR . 3.8 mm? -42.09 -51.65 4.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.403 ' HA ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -45.27 -56.26 5.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.354 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 89' ' ' GLU . 1.1 mt -54.75 -54.52 40.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.093 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.619 HD11 ' N ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -42.48 -57.89 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.489 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 0.3 OUTLIER -53.6 -33.11 53.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.325 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 86' ' ' LEU . 2.9 mm-40 -72.78 -30.06 63.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.54 -28.1 22.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 107' ' ' THR . . . 103.14 21.44 10.06 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.503 ' CD1' HD13 ' A' ' 87' ' ' LEU . 7.4 mt -80.25 -39.26 29.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 88' ' ' GLN . 3.3 m -140.12 176.84 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.239 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.692 ' CE1' ' CB ' ' A' ' 105' ' ' TYR . 27.3 p90 -164.76 147.92 8.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.102 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -90.54 140.96 29.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.496 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 1.0 OUTLIER -114.18 65.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.243 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 3.2 m-20 156.79 -24.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 73.3 132.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.042 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 155.13 133.11 1.67 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.12 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 m -45.13 -53.88 7.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 110.009 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -106.45 74.97 1.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.1 mmtm -126.74 177.35 6.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.592 ' CD2' ' CE2' ' A' ' 38' ' ' TYR . 2.0 tm? -76.48 138.79 40.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.479 ' CE2' ' HG ' ' A' ' 84' ' ' LEU . 28.1 m-85 -109.31 126.98 53.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.692 ' CB ' ' CE1' ' A' ' 94' ' ' PHE . 6.0 m-85 -100.43 140.47 34.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.429 ' O ' ' CE2' ' A' ' 94' ' ' PHE . 1.3 t -76.59 160.01 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.504 ' O ' ' CG2' ' A' ' 108' ' ' THR . 14.8 t -92.71 165.24 13.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.374 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 107' ' ' THR . 13.5 t 51.53 -167.7 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -122.63 154.59 37.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.3 t0 178.48 89.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -171.33 -163.86 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -120.18 93.94 4.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.3 tt 63.07 139.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -165.89 175.88 8.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 28.0 t -113.25 -64.97 1.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.142 . . . . 0.0 110.017 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 70.61 103.05 0.04 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.545 1.153 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 179.86 5.68 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.552 1.817 . . . . 0.0 110.947 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.0 m -139.62 151.45 46.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.72 -55.36 2.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.032 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 12' ' ' LEU . 10.6 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.595 ' HA ' HG12 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -164.03 154.87 15.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.83 ' N ' HG11 ' A' ' 56' ' ' VAL . 0.8 OUTLIER -40.85 -40.71 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.21 -46.33 20.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.09 -52.18 50.91 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.849 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -66.21 -39.15 89.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.302 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.97 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.5 m -57.97 -57.43 12.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.416 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.505 ' HA ' HD13 ' A' ' 86' ' ' LEU . 1.8 t -37.83 -38.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.967 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.7 tp -71.08 -54.68 10.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.817 HD23 HG12 ' A' ' 79' ' ' VAL . 11.5 tp -41.56 -43.68 2.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.502 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 0.5 OUTLIER -46.54 -56.7 5.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.22 -32.23 72.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.934 ' HG3' HD22 ' A' ' 51' ' ' LEU . 24.0 mmtt -62.4 -33.25 74.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 109.277 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.743 HG23 ' CD1' ' A' ' 42' ' ' LEU . 1.8 mp -78.21 -49.46 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.521 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -53.17 -38.59 62.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.521 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 2.0 mm-40 -68.14 -40.75 82.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 110.347 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.755 ' CE1' HG21 ' A' ' 45' ' ' VAL . 67.4 t80 -56.56 -39.55 73.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 111.02 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.615 HD21 ' CE1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -59.63 -48.8 80.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -66.72 -13.98 62.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -89.19 -43.76 10.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.267 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.588 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 56.0 mmtt -84.21 -14.43 50.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt 57.84 63.82 1.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.46 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -126.23 163.58 22.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 111.006 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -119.58 6.51 11.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 p -166.45 148.14 6.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.992 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.77 ' CE2' HD11 ' A' ' 42' ' ' LEU . 36.3 p90 -175.76 -176.67 0.87 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.937 ' CE2' HD23 ' A' ' 103' ' ' LEU . 46.4 m-85 -128.3 146.65 50.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 111.053 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.42 ' CG ' ' HB3' ' A' ' 80' ' ' PHE . 3.3 tt0 -52.89 -41.87 64.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -60.74 -39.67 89.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.153 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -59.32 -23.78 62.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.327 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.77 HD11 ' CE2' ' A' ' 37' ' ' PHE . 9.3 mt -93.2 -21.9 19.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 1.4 mt-10 -62.95 -17.72 62.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.2 p -91.04 -9.73 44.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.453 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.755 HG21 ' CE1' ' A' ' 28' ' ' PHE . 95.0 t -81.25 94.69 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -43.44 -53.34 5.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.7 m -44.62 -32.0 1.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.516 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 29.7 mt -86.06 -58.33 2.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -45.2 -43.84 10.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.41 -24.74 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.934 HD22 ' HG3' ' A' ' 24' ' ' LYS . 3.4 tp -99.04 -47.41 5.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.716 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -66.55 -6.08 13.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 49' ' ' GLN . 39.7 t -113.73 -16.65 12.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -44.95 158.91 0.27 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.25 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.479 ' C ' ' CG2' ' A' ' 56' ' ' VAL . 18.5 Cg_endo -74.94 169.82 21.77 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.83 HG11 ' N ' ' A' ' 14' ' ' LEU . 1.8 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.487 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 55.0 t -41.42 -46.3 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.54 -44.01 93.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.487 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 6.2 mt-30 -52.63 -23.98 7.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.463 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -85.17 -34.38 22.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.97 HG13 ' OG1' ' A' ' 18' ' ' THR . 40.3 t -77.16 -36.32 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.517 ' CE2' ' CB ' ' A' ' 52' ' ' ALA . 2.1 m-85 -70.4 -56.56 6.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 82' ' ' ASN . 0.1 OUTLIER -51.84 -39.53 59.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.481 ' HB3' HG21 ' A' ' 18' ' ' THR . 94.9 m-20 -70.03 -42.61 72.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.502 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -49.0 -53.6 19.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.153 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.522 ' HB3' ' CE1' ' A' ' 104' ' ' TYR . 3.7 mm? -55.08 -50.72 68.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -46.19 -58.15 3.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.683 HD11 HG22 ' A' ' 18' ' ' THR . 1.5 mt -46.89 -50.65 18.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.858 HD22 HD13 ' A' ' 92' ' ' LEU . 91.5 mt -50.32 -43.34 53.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.558 ' HG2' HG23 ' A' ' 93' ' ' VAL . 68.4 mt-30 -66.36 -19.16 65.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -88.92 -24.16 22.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -90.92 -29.04 17.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.02 14.31 23.08 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.858 HD13 HD22 ' A' ' 87' ' ' LEU . 4.1 mt -76.09 -44.22 39.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 0.732 . . . . 0.0 109.358 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.558 HG23 ' HG2' ' A' ' 88' ' ' GLN . 2.3 m -128.56 173.04 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 10.5 p90 -161.97 148.67 13.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.482 ' OE1' ' CB ' ' A' ' 102' ' ' LYS . 3.2 mt-30 -122.84 121.91 37.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.258 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.4 mtp-105 -81.19 -46.63 14.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.147 . . . . 0.0 110.322 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -96.72 115.81 28.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.22 156.32 15.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.976 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 132.11 124.7 2.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.8 p -44.04 -51.85 7.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 110.028 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -87.61 75.35 9.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.482 ' CB ' ' OE1' ' A' ' 95' ' ' GLN . 13.1 mmtt -132.46 159.04 40.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.937 HD23 ' CE2' ' A' ' 38' ' ' TYR . 1.3 tm? -72.73 134.0 44.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.871 ' N ' HD13 ' A' ' 103' ' ' LEU . 33.5 m-85 -98.45 108.83 21.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.915 ' CD1' HD12 ' A' ' 103' ' ' LEU . 21.3 m-30 -83.2 117.36 22.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.4 p -87.23 151.87 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 11.9 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.41 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 12' ' ' LEU . 9.0 mt . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.636 ' HA ' HG12 ' A' ' 56' ' ' VAL . 9.9 t0 -163.13 158.76 22.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.17 . . . . 0.0 109.255 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.819 ' N ' HG11 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -40.09 -45.23 1.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.73 -54.16 12.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.99 -53.28 27.5 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.441 1.088 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.942 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -63.02 -39.17 93.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 0.78 . . . . 0.0 109.315 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.968 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.6 m -58.54 -54.94 41.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.405 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 18' ' ' THR . 5.3 t -36.9 -39.72 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.026 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 tp -67.3 -55.45 13.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.331 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.682 ' CD2' ' HB2' ' A' ' 52' ' ' ALA . 4.4 tp -41.71 -48.87 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.487 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -42.58 -60.63 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.003 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.7 -36.7 74.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.523 ' HB3' ' CD2' ' A' ' 48' ' ' LEU . 46.3 mmtt -59.4 -33.52 71.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.668 HD12 ' O ' ' A' ' 21' ' ' LEU . 1.5 mp -76.19 -53.8 14.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.523 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -47.74 -37.9 14.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.523 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 3.3 mm-40 -68.68 -42.13 78.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.58 ' CE1' HG21 ' A' ' 45' ' ' VAL . 71.0 t80 -55.55 -40.76 72.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 111.032 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.662 HD21 ' CE2' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -59.1 -46.33 88.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -66.84 -17.0 64.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -87.39 -46.56 9.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.578 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 42.6 mmtt -81.57 -14.87 56.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER 55.94 64.27 1.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.476 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -127.0 153.81 45.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.148 . . . . 0.0 111.024 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -111.27 9.62 21.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.439 ' HB2' HD21 ' A' ' 103' ' ' LEU . 11.8 p -167.18 134.07 2.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.801 ' CE1' HD11 ' A' ' 42' ' ' LEU . 34.7 p90 -163.3 170.71 17.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.967 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 1.094 ' CE2' HD12 ' A' ' 103' ' ' LEU . 25.6 m-85 -117.93 145.67 44.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.946 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.484 ' CG ' ' HB3' ' A' ' 80' ' ' PHE . 2.6 tt0 -52.15 -43.28 63.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -61.54 -37.36 83.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.1 -24.0 67.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.801 HD11 ' CE1' ' A' ' 37' ' ' PHE . 11.4 mt -89.4 -23.22 22.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.523 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 38.0 mt-10 -59.13 -32.26 69.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.259 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.2 p -71.72 -12.52 61.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.407 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.58 HG21 ' CE1' ' A' ' 28' ' ' PHE . 33.4 t -77.35 92.25 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.85 -58.34 2.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.8 m -39.26 -41.68 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.035 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.523 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 75.0 mt -73.83 -54.76 7.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.523 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -45.29 -43.37 10.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -48.09 -24.96 1.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.653 HD23 ' HB2' ' A' ' 21' ' ' LEU . 2.8 tp -98.37 -46.45 5.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.682 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -66.66 -5.75 12.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 49' ' ' GLN . 42.5 t -114.67 -15.52 11.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.963 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -47.32 158.34 0.48 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.454 ' C ' ' CG2' ' A' ' 56' ' ' VAL . 18.3 Cg_endo -75.01 167.83 26.17 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.474 1.776 . . . . 0.0 110.963 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.819 HG11 ' N ' ' A' ' 14' ' ' LEU . 1.8 t . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.502 ' O ' ' CZ ' ' A' ' 78' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.576 HG13 ' N ' ' A' ' 76' ' ' ALA . 13.7 p -61.77 -55.82 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 0.729 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.576 ' N ' HG13 ' A' ' 75' ' ' VAL . . . -52.21 -30.55 27.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.435 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 10.3 mt-30 -65.93 -18.04 65.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.502 ' CZ ' ' O ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -91.68 -30.83 16.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 110.285 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.968 HG13 ' OG1' ' A' ' 18' ' ' THR . 22.4 t -80.82 -36.03 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.484 ' HB3' ' CG ' ' A' ' 39' ' ' GLN . 1.7 m-85 -70.61 -55.61 8.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -52.65 -39.3 61.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.608 ' HB3' HG21 ' A' ' 18' ' ' THR . 80.8 m-20 -70.27 -42.22 72.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.487 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -49.21 -51.94 29.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.653 HD11 ' CE1' ' A' ' 37' ' ' PHE . 3.8 mm? -56.42 -51.41 68.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.71 -56.45 5.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.665 HD11 HG22 ' A' ' 18' ' ' THR . 1.6 mt -49.2 -50.85 36.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.718 HD22 HD13 ' A' ' 92' ' ' LEU . 86.6 mt -49.71 -44.95 48.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.553 ' HG2' HG23 ' A' ' 93' ' ' VAL . 0.1 OUTLIER -65.28 -21.24 66.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.292 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 86' ' ' LEU . 0.8 OUTLIER -86.07 -24.55 26.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.57 -29.63 16.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.418 ' O ' HG21 ' A' ' 107' ' ' THR . . . 105.39 13.5 24.38 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.496 1.122 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.718 HD13 HD22 ' A' ' 87' ' ' LEU . 6.4 mt -75.0 -38.4 61.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.553 HG23 ' HG2' ' A' ' 88' ' ' GLN . 4.3 m -137.85 175.0 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 105' ' ' TYR . 39.7 p90 -162.64 152.85 16.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -122.3 133.2 54.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.514 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -108.57 84.58 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.266 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 3.6 m-20 155.63 -24.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.9 t 63.66 147.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.009 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 131.22 178.26 15.36 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.8 p -93.64 -36.52 12.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.764 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.68 62.49 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -133.69 158.38 43.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 1.094 HD12 ' CE2' ' A' ' 38' ' ' TYR . 5.5 tt -77.42 153.42 33.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.554 ' CE1' ' HB3' ' A' ' 84' ' ' LEU . 42.8 m-85 -113.04 113.11 24.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.577 ' HB2' ' CE1' ' A' ' 94' ' ' PHE . 43.4 m-85 -88.89 137.89 31.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -83.89 163.98 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' A' ' 92' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.398 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 12' ' ' LEU . 10.1 mt . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.6 OUTLIER -170.24 150.97 3.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.778 ' CD2' HG22 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -36.48 -42.45 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.02 -51.33 22.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.242 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -57.46 -58.38 14.9 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.122 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.042 HD23 HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -56.12 -31.72 63.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 0.767 . . . . 0.0 109.328 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.977 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.3 m -67.56 -56.46 9.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.392 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 18' ' ' THR . 32.1 t -36.8 -33.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.029 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.612 ' HG ' HD11 ' A' ' 51' ' ' LEU . 3.0 tp -76.02 -56.19 4.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.852 ' CD2' ' HB2' ' A' ' 52' ' ' ALA . 27.6 tp -42.16 -48.63 4.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.564 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 1.4 p -39.44 -52.54 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 1.5 mt-10 -62.69 -38.48 90.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.891 ' HG3' HD12 ' A' ' 51' ' ' LEU . 2.7 mmtt -57.67 -41.98 82.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.752 HG21 HD11 ' A' ' 84' ' ' LEU . 6.3 mt -74.0 -43.6 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.491 ' HD2' ' CD2' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -61.54 -37.53 84.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 1.8 mm-40 -69.62 -30.14 67.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.346 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.6 ' CE1' ' CE ' ' A' ' 32' ' ' LYS . 79.1 t80 -68.41 -43.53 77.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 111.048 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.761 HD21 ' CE2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -54.6 -57.36 11.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -65.95 -11.61 48.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.33 -38.35 13.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.6 ' CE ' ' CE1' ' A' ' 28' ' ' PHE . 68.1 mmtt -88.49 -12.45 42.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 mptt 58.06 59.34 3.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.471 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -119.2 170.15 9.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -126.03 4.82 7.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.48 ' HB2' HD11 ' A' ' 103' ' ' LEU . 2.9 p -167.04 153.33 8.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.15 . . . . 0.0 110.009 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.761 ' CE2' HD21 ' A' ' 29' ' ' LEU . 11.2 p90 -178.2 170.73 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 1.018 ' CE2' HD23 ' A' ' 103' ' ' LEU . 59.3 m-85 -116.57 153.01 32.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.952 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.466 ' HG3' HD21 ' A' ' 84' ' ' LEU . 29.5 tt0 -59.15 -23.84 62.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.348 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.483 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 6.0 pt20 -78.01 -45.12 24.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.483 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 9.2 mm-40 -55.4 -20.14 11.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.311 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.743 HD11 ' CE1' ' A' ' 37' ' ' PHE . 12.0 mt -98.36 -20.24 17.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.465 ' HA ' ' CZ ' ' A' ' 80' ' ' PHE . 0.9 OUTLIER -68.62 -9.43 49.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 40' ' ' GLN . 6.3 p -100.91 -3.8 28.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.424 ' CG1' ' HG ' ' A' ' 48' ' ' LEU . 69.1 t -89.03 105.56 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 48' ' ' LEU . 1.9 mt-10 -48.94 -58.32 5.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 46' ' ' GLU . 29.9 m -38.09 -31.7 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.976 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.48 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 41.9 mt -87.29 -60.44 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.554 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.1 mt-30 -46.68 -47.4 20.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 110.302 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.79 -22.26 2.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 110.027 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.891 HD12 ' HG3' ' A' ' 24' ' ' LYS . 0.9 OUTLIER -98.95 -54.62 2.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.852 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -65.34 -6.72 10.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.554 ' N ' ' O ' ' A' ' 49' ' ' GLN . 19.4 m -106.87 -18.01 14.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.013 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.506 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -44.98 158.35 0.29 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 110.256 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.649 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.1 Cg_endo -75.02 168.12 25.53 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.472 1.775 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 1.042 HG11 HD23 ' A' ' 17' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.497 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.558 HG13 ' N ' ' A' ' 76' ' ' ALA . 14.8 p -40.89 -54.69 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.558 ' N ' HG13 ' A' ' 75' ' ' VAL . . . -49.34 -43.04 43.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 4.7 mt-30 -59.12 -22.83 61.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.491 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -87.23 -30.82 20.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.977 HG13 ' OG1' ' A' ' 18' ' ' THR . 21.5 t -79.94 -37.61 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.751 ' O ' HD22 ' A' ' 84' ' ' LEU . 2.1 m-85 -62.0 -57.65 10.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -43.08 73.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.821 ' HB3' HG21 ' A' ' 18' ' ' THR . 88.1 m-20 -63.51 -37.66 88.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.564 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -57.99 -57.47 12.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.752 HD11 HG21 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -54.34 -54.23 43.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.341 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -36.16 -56.52 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.252 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.653 HD12 ' O ' ' A' ' 82' ' ' ASN . 0.9 OUTLIER -56.59 -47.78 78.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.691 HD12 HD12 ' A' ' 84' ' ' LEU . 90.6 mt -50.18 -41.35 49.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.595 ' OE1' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -67.18 -25.97 66.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.67 -23.3 42.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.472 ' HB2' HD12 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -92.19 -29.4 16.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.5 25.06 7.92 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.614 HD13 HD22 ' A' ' 87' ' ' LEU . 2.7 mt -86.51 -35.4 19.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.595 HG23 ' OE1' ' A' ' 88' ' ' GLN . 2.4 m -144.75 176.14 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 5.7 p90 -163.75 157.67 19.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 111.0 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -127.28 118.14 23.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 50.2 mtp85 -72.29 -57.39 4.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.65 -20.18 45.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.73 17.66 3.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.976 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -89.62 149.4 20.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.73 -57.13 13.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 0.738 . . . . 0.0 109.974 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -95.34 74.47 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -134.2 -179.59 5.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.588 1.18 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 1.018 HD23 ' CE2' ' A' ' 38' ' ' TYR . 1.4 tm? -85.55 130.71 34.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.84 ' N ' HD13 ' A' ' 103' ' ' LEU . 24.5 m-85 -96.01 120.53 36.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 111.032 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.971 ' CE1' HD12 ' A' ' 103' ' ' LEU . 20.0 m-85 -93.31 123.27 36.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.432 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.4 p -92.16 150.63 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.454 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 12' ' ' LEU . 10.2 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.455 ' C ' HG21 ' A' ' 56' ' ' VAL . 0.5 OUTLIER -167.88 152.39 6.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.761 HD21 HG22 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -38.03 -43.59 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.69 -55.08 14.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.62 -60.78 8.28 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.051 HD23 HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -51.81 -37.01 49.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 0.791 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.787 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.8 m -64.19 -55.01 24.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.423 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.444 ' HA ' HD13 ' A' ' 86' ' ' LEU . 12.2 t -38.37 -43.86 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.623 ' HG ' HD11 ' A' ' 51' ' ' LEU . 2.4 tp -65.36 -57.0 9.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.842 ' CD2' ' HB2' ' A' ' 52' ' ' ALA . 33.2 tp -41.43 -49.41 3.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.541 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -42.56 -49.14 5.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.03 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -64.85 -33.9 77.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.816 ' HG3' HD12 ' A' ' 51' ' ' LEU . 3.3 mmtt -62.17 -37.84 86.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.803 HG23 ' CD1' ' A' ' 42' ' ' LEU . 1.9 mp -72.9 -52.77 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.519 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -50.96 -37.9 47.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.519 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 1.9 mm-40 -67.17 -42.43 84.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.344 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.556 ' CE2' HD22 ' A' ' 42' ' ' LEU . 62.9 t80 -54.78 -33.09 60.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 111.06 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.837 ' CD1' HG13 ' A' ' 106' ' ' VAL . 9.0 mt -69.89 -48.61 57.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -63.8 -10.78 21.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -94.24 -49.41 5.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.132 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.542 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 22.9 mmtp -80.54 -14.38 58.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 29' ' ' LEU . 4.5 mptt 56.09 64.83 1.6 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.42 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -120.28 160.0 23.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -116.45 7.73 13.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.502 ' HB2' HD11 ' A' ' 103' ' ' LEU . 1.9 p -167.43 146.68 5.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.807 ' CE1' HD11 ' A' ' 42' ' ' LEU . 26.0 p90 -175.87 175.49 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 1.066 ' CE2' HD23 ' A' ' 103' ' ' LEU . 36.5 m-85 -120.16 151.65 38.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.475 ' CG ' ' HB3' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -60.01 -38.42 82.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 110.325 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.457 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 8.5 pt20 -64.25 -43.84 93.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.457 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 13.9 mm-40 -55.72 -18.12 7.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 110.338 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.807 HD11 ' CE1' ' A' ' 37' ' ' PHE . 9.0 mt -96.79 -24.11 16.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.083 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.508 ' HG2' ' CD2' ' A' ' 80' ' ' PHE . 0.6 OUTLIER -60.44 -18.54 51.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.333 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.2 p -86.48 -12.18 49.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.379 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.575 ' HB ' HD12 ' A' ' 48' ' ' LEU . 36.3 t -78.44 119.34 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 48' ' ' LEU . 6.3 mm-40 -61.61 -63.13 1.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.3 m -39.78 -29.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.575 HD12 ' HB ' ' A' ' 45' ' ' VAL . 69.4 mt -83.39 -60.24 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.539 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.5 OUTLIER -46.87 -46.39 21.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.37 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.94 -22.94 2.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.974 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.824 HD13 ' HA ' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -98.65 -55.57 2.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.842 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -63.57 -6.76 5.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.539 ' N ' ' O ' ' A' ' 49' ' ' GLN . 7.7 t -109.99 -17.64 13.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.013 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.499 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -43.36 157.91 0.25 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.246 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.638 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.97 168.96 23.67 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 111.028 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 1.051 HG11 HD23 ' A' ' 17' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 55.7 t -71.96 -68.28 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.421 ' O ' ' HB2' ' A' ' 80' ' ' PHE . . . -48.98 -26.48 2.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -61.68 -24.73 66.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.56 ' HG2' HG23 ' A' ' 79' ' ' VAL . 3.5 ptm180 -86.52 -27.98 23.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.152 . . . . 0.0 110.271 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.787 HG13 ' OG1' ' A' ' 18' ' ' THR . 10.5 t -86.93 -34.12 7.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.508 ' CD2' ' HG2' ' A' ' 43' ' ' GLU . 1.7 m-85 -68.05 -54.26 19.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.28 -41.15 65.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.639 ' HB3' HG21 ' A' ' 18' ' ' THR . 91.5 m-20 -64.82 -40.21 94.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.246 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.541 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -52.88 -56.84 12.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.561 HD11 ' CE1' ' A' ' 37' ' ' PHE . 3.4 mm? -52.86 -53.01 55.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -42.43 -57.04 2.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.762 ' CD1' HG22 ' A' ' 18' ' ' THR . 2.3 mt -49.72 -51.43 38.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.237 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.715 HD22 HD13 ' A' ' 92' ' ' LEU . 80.6 mt -48.21 -49.03 34.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.502 ' OE1' HG23 ' A' ' 93' ' ' VAL . 0.1 OUTLIER -62.6 -23.36 67.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 86' ' ' LEU . 1.1 mm-40 -85.3 -25.54 27.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.88 -28.58 17.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.743 ' O ' HG21 ' A' ' 107' ' ' THR . . . 102.46 21.45 10.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.715 HD13 HD22 ' A' ' 87' ' ' LEU . 7.5 mt -82.8 -31.74 28.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.502 HG23 ' OE1' ' A' ' 88' ' ' GLN . 2.4 m -147.25 176.53 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.652 ' CE1' ' CB ' ' A' ' 105' ' ' TYR . 28.5 p90 -163.24 151.7 13.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.443 ' HG3' ' CD1' ' A' ' 104' ' ' TYR . 39.0 mt-30 -93.19 134.18 35.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.503 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 0.2 OUTLIER -107.94 72.05 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.302 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 0.7 OUTLIER 155.58 -25.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.29 128.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 145.96 128.86 2.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -41.54 -52.24 3.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 109.983 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -99.22 76.34 2.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -136.05 160.57 38.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 1.066 HD23 ' CE2' ' A' ' 38' ' ' TYR . 1.8 tm? -63.37 130.97 46.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.801 ' N ' HD13 ' A' ' 103' ' ' LEU . 30.3 m-85 -98.55 131.57 44.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.907 ' CE1' HD12 ' A' ' 103' ' ' LEU . 3.8 m-85 -103.41 138.06 40.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.837 HG13 ' CD1' ' A' ' 29' ' ' LEU . 0.9 OUTLIER -79.45 161.01 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.743 HG21 ' O ' ' A' ' 91' ' ' GLY . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.396 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -163.09 152.3 14.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 1.033 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -39.15 -31.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -93.53 -39.08 11.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -64.81 -47.77 79.4 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.111 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.004 HD23 HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -71.59 -33.08 68.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 109.275 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.956 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.2 m -63.19 -46.94 84.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.5 t -42.31 -46.12 4.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.834 HD12 HD11 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -63.97 -50.24 69.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.886 HD23 HG12 ' A' ' 79' ' ' VAL . 7.8 tp -44.0 -45.64 7.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.489 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 17.5 p -43.4 -56.38 3.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.015 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -61.02 -38.67 86.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.544 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . 30.8 mmtt -53.63 -41.34 66.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.679 HG21 HD11 ' A' ' 84' ' ' LEU . 1.5 mp -71.27 -54.97 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.481 ' HD2' ' CD2' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -49.58 -37.11 26.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.41 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 1.5 mm-40 -70.66 -41.77 71.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.359 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.543 ' CE2' HD22 ' A' ' 42' ' ' LEU . 50.5 t80 -53.42 -30.83 42.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.715 ' CD1' HG13 ' A' ' 106' ' ' VAL . 8.3 mt -72.34 -47.62 48.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -63.75 -11.68 28.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -93.7 -49.76 5.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.345 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 22.7 mmtp -80.51 -14.38 58.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' LEU . 17.3 mmtt 56.16 65.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.411 ' HE3' ' CD2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -119.69 168.27 11.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -123.39 6.56 9.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 p -166.74 147.63 6.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.972 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.788 ' CE2' HD11 ' A' ' 42' ' ' LEU . 33.5 p90 -176.66 164.7 2.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.941 ' CE2' HD23 ' A' ' 103' ' ' LEU . 54.1 m-85 -115.03 149.79 36.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.487 ' CG ' ' HB3' ' A' ' 80' ' ' PHE . 1.5 tt0 -54.25 -43.42 70.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.468 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 4.9 pt20 -56.33 -44.66 80.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.468 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 5.1 mm-40 -56.34 -20.62 19.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.788 HD11 ' CE2' ' A' ' 37' ' ' PHE . 8.4 mt -95.93 -23.5 16.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.433 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 1.3 mm-40 -61.61 -27.38 68.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.2 p -93.43 5.89 50.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.406 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.599 HG11 ' CD2' ' A' ' 48' ' ' LEU . 96.1 t -93.86 112.5 26.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 47' ' ' SER . 0.2 OUTLIER -51.24 -57.26 9.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.344 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' GLU . 18.8 m -37.25 -52.77 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.976 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.612 ' HB3' ' CE1' ' A' ' 80' ' ' PHE . 2.0 mm? -67.04 -65.95 0.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.567 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.6 mm-40 -38.27 -50.99 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.5 t -41.56 -27.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.834 HD11 HD12 ' A' ' 20' ' ' LEU . 2.4 tp -100.0 -50.68 3.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.637 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -63.3 -5.72 3.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.567 ' N ' ' O ' ' A' ' 49' ' ' GLN . 4.8 p -107.75 -22.61 12.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.465 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -43.54 156.61 0.28 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.662 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.0 168.27 25.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 1.004 HG11 HD23 ' A' ' 17' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 51.3 t -60.21 -67.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.35 -38.42 19.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.417 ' N ' ' OE2' ' A' ' 43' ' ' GLU . 21.8 mt-30 -54.7 -20.45 8.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.496 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 66.4 mtt180 -92.04 -41.95 10.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.956 HG13 ' OG1' ' A' ' 18' ' ' THR . 33.1 t -66.57 -33.91 66.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.612 ' CE1' ' HB3' ' A' ' 48' ' ' LEU . 2.3 m-85 -67.53 -55.25 14.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -41.56 97.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.791 ' O ' HD12 ' A' ' 86' ' ' LEU . 94.4 m-20 -64.15 -20.17 65.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . -73.84 -44.34 55.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.679 HD11 HG21 ' A' ' 25' ' ' ILE . 2.9 mm? -62.78 -52.69 62.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -38.26 -55.39 1.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.791 HD12 ' O ' ' A' ' 82' ' ' ASN . 1.1 mt -54.63 -51.23 66.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.662 HD12 HD13 ' A' ' 84' ' ' LEU . 87.8 mt -48.76 -41.89 33.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.817 ' OE1' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -66.24 -27.48 67.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -77.72 -25.04 49.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.54 -28.83 18.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.449 ' O ' HG21 ' A' ' 107' ' ' THR . . . 102.27 19.7 13.82 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.629 HD13 HD22 ' A' ' 87' ' ' LEU . 8.5 mt -79.05 -41.23 29.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.817 HG23 ' OE1' ' A' ' 88' ' ' GLN . 1.8 m -137.56 174.29 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.401 ' CE1' ' HB2' ' A' ' 105' ' ' TYR . 48.6 p90 -163.3 154.84 17.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.489 ' NE2' ' CE1' ' A' ' 104' ' ' TYR . 29.8 mt-30 -116.18 118.07 31.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.514 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 0.8 OUTLIER -83.22 62.86 6.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 2.0 m-20 154.93 101.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.31 104.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -171.44 138.4 4.86 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.125 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 m -63.19 -45.75 90.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.83 76.94 2.0 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.2 mmtm -129.36 175.14 8.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.941 HD23 ' CE2' ' A' ' 38' ' ' TYR . 1.2 tm? -81.57 125.45 30.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.76 ' N ' HD13 ' A' ' 103' ' ' LEU . 64.8 m-85 -90.84 93.64 9.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.741 ' CD1' HD12 ' A' ' 103' ' ' LEU . 61.0 m-85 -75.54 140.96 43.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.715 HG13 ' CD1' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -82.88 164.11 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.449 HG21 ' O ' ' A' ' 91' ' ' GLY . 1.2 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.386 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 12' ' ' LEU . 8.8 mt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.679 ' HA ' HG12 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -170.91 155.2 4.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.775 ' N ' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -42.84 -36.42 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.26 -56.21 5.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.08 -53.47 44.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.47 1.106 . . . . 0.0 110.969 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.027 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -53.64 -36.68 62.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 0.744 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.591 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.3 m -68.67 -55.82 10.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.418 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.0 t -41.11 -32.09 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 21' ' ' LEU . 6.3 tp -76.05 -54.2 7.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.792 HD23 HG12 ' A' ' 79' ' ' VAL . 7.0 tp -40.13 -47.69 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.452 ' O ' HD21 ' A' ' 87' ' ' LEU . 70.1 p -40.46 -58.0 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.989 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 1.2 mt-10 -60.97 -32.91 72.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.36 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.781 ' HG3' HD22 ' A' ' 51' ' ' LEU . 8.4 mmtt -63.26 -36.73 84.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.76 HG23 ' CD1' ' A' ' 42' ' ' LEU . 4.8 mt -78.52 -54.17 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.515 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -48.52 -38.64 20.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.515 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 1.9 mm-40 -66.66 -43.3 84.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.57 ' CE1' ' HE3' ' A' ' 32' ' ' LYS . 47.2 t80 -55.99 -26.79 49.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.572 ' CD2' ' CE2' ' A' ' 37' ' ' PHE . 11.3 mt -76.5 -46.96 24.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -63.52 -10.54 18.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -94.22 -50.87 5.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.57 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 8.8 mmtp -80.99 -21.54 40.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.52 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER 55.57 67.52 1.0 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.56 ' SD ' ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -104.86 173.81 6.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -124.5 -6.65 7.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.552 ' HB2' HD21 ' A' ' 103' ' ' LEU . 8.6 p -169.0 136.87 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.977 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.572 ' CE2' ' CD2' ' A' ' 29' ' ' LEU . 8.4 p90 -164.3 168.44 18.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 1.087 ' CZ ' HD12 ' A' ' 103' ' ' LEU . 59.4 m-85 -113.1 154.74 26.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.529 ' HB2' ' CE2' ' A' ' 104' ' ' TYR . 1.5 tt0 -61.01 -36.76 80.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.501 ' O ' HG23 ' A' ' 44' ' ' THR . 11.3 pt20 -62.79 -30.15 71.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.267 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -67.96 -19.04 64.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.76 ' CD1' HG23 ' A' ' 25' ' ' ILE . 9.3 mt -99.12 -22.37 15.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.439 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 1.9 mm-40 -64.18 -27.18 68.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 40' ' ' GLN . 16.6 p -90.05 3.72 52.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.389 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.678 HG11 ' CD2' ' A' ' 48' ' ' LEU . 57.6 t -90.52 130.36 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 47' ' ' SER . 1.3 tt0 -66.83 -59.87 3.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 46' ' ' GLU . 38.1 m -37.27 -49.81 0.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.678 ' CD2' HG11 ' A' ' 45' ' ' VAL . 1.7 mm? -68.33 -67.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 53' ' ' SER . 3.1 mm-40 -38.46 -51.76 1.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.23 -28.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.781 HD22 ' HG3' ' A' ' 24' ' ' LYS . 1.8 tp -99.93 -49.49 4.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.246 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.532 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -61.59 -6.3 2.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 49' ' ' GLN . 69.4 m -113.94 -11.78 12.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.99 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 1.0 OUTLIER -54.02 160.22 2.42 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.457 ' C ' ' CG2' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.99 172.48 16.29 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.421 1.748 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.775 HG11 ' N ' ' A' ' 14' ' ' LEU . 1.9 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.408 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 45.1 t -59.76 -65.6 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.39 -39.75 23.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -54.72 -21.26 10.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.501 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 86.3 mtt-85 -90.41 -40.37 12.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.792 HG12 HD23 ' A' ' 21' ' ' LEU . 40.0 t -67.06 -34.6 70.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.596 ' CZ ' ' HB3' ' A' ' 48' ' ' LEU . 3.1 m-85 -68.59 -54.84 14.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.954 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.414 ' NZ ' ' HB3' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -61.74 -41.94 98.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.586 ' O ' HD12 ' A' ' 86' ' ' LEU . 93.0 m-20 -63.46 -22.78 67.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . -71.36 -50.33 33.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.853 HD13 HD12 ' A' ' 87' ' ' LEU . 3.2 mm? -55.1 -51.0 67.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -38.55 -54.66 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.317 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 82' ' ' ASN . 1.0 OUTLIER -59.39 -41.79 90.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.879 HD22 HD13 ' A' ' 92' ' ' LEU . 90.5 mt -57.25 -43.54 83.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -64.65 -19.53 65.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.255 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -87.96 -26.84 22.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 110.259 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.75 -29.63 22.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.24 17.63 15.34 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.879 HD13 HD22 ' A' ' 87' ' ' LEU . 4.3 mt -78.23 -34.7 49.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.3 m -142.24 176.41 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.59 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 12.8 p90 -162.24 148.81 13.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.466 ' NE2' ' CE1' ' A' ' 104' ' ' TYR . 17.9 mt-30 -119.18 121.58 40.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.409 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 29.4 mtp180 -87.58 55.1 3.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 0.7 OUTLIER 162.91 -49.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.52 168.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.015 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 101' ' ' ASP . . . 132.29 42.85 0.17 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 99' ' ' GLY . 0.9 OUTLIER 37.93 31.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 0.775 . . . . 0.0 110.001 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 99' ' ' GLY . 55.3 p30 -169.06 44.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -135.18 171.21 14.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 1.087 HD12 ' CZ ' ' A' ' 38' ' ' TYR . 6.1 tt -81.74 153.54 26.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.529 ' CE2' ' HB2' ' A' ' 39' ' ' GLN . 46.9 m-85 -111.04 91.89 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.59 ' HB3' ' CZ ' ' A' ' 94' ' ' PHE . 68.4 m-85 -71.25 116.42 11.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.419 ' HB ' HD13 ' A' ' 29' ' ' LEU . 1.8 p -79.77 151.34 4.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 11.3 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.385 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 12' ' ' LEU . 9.8 mt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.516 ' C ' HG21 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -161.46 152.86 18.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.526 HD21 HG22 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -39.2 -34.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.22 -48.97 14.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -60.6 -57.26 19.84 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.992 HD23 HG11 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -54.04 -39.72 66.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.34 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.487 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.2 m -60.34 -59.93 4.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 110.434 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 18' ' ' THR . 7.7 t -38.53 -35.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 110.042 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.42 ' HG ' HD21 ' A' ' 51' ' ' LEU . 4.0 tp -71.8 -53.97 11.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.995 ' CD1' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -41.28 -50.45 3.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.498 ' O ' ' HB3' ' A' ' 26' ' ' LYS . 52.5 p -35.23 -58.72 0.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.477 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . 1.7 mm-40 -59.53 -36.67 76.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.616 ' HG3' HD22 ' A' ' 51' ' ' LEU . 23.1 mmtt -64.3 -55.97 17.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.995 HD11 ' CD1' ' A' ' 21' ' ' LEU . 7.2 mt -58.63 -49.47 82.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.511 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -55.56 -39.68 70.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.511 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 1.7 mm-40 -60.93 -42.3 97.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.584 ' CE1' ' HE3' ' A' ' 32' ' ' LYS . 84.5 t80 -56.98 -36.17 70.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.613 HD21 ' CZ ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -61.27 -48.84 79.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -69.86 -14.31 62.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -83.93 -43.46 15.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.616 ' HB2' ' SD ' ' A' ' 34' ' ' MET . 22.3 mmtp -91.54 -23.3 19.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER 58.96 67.57 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.616 ' SD ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -110.35 177.89 4.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 111.042 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -124.41 -5.28 7.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.296 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.743 ' HB2' HD11 ' A' ' 103' ' ' LEU . 0.2 OUTLIER -168.22 142.83 3.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.019 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.675 ' CE1' HD11 ' A' ' 42' ' ' LEU . 38.2 p90 -163.71 161.37 23.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 1.088 ' CE2' HD23 ' A' ' 103' ' ' LEU . 44.6 m-85 -109.92 153.54 24.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.971 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -50.34 -33.8 21.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.408 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 5.4 pt20 -69.62 -41.79 75.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.408 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 16.5 mm-40 -56.06 -17.58 7.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.871 HD13 HG23 ' A' ' 25' ' ' ILE . 11.1 mt -104.24 -18.42 14.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.449 ' O ' ' CD ' ' A' ' 49' ' ' GLN . 8.1 mt-10 -68.0 -6.58 23.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.284 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.1 p -107.82 -2.61 19.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.378 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.498 HG21 ' CZ ' ' A' ' 28' ' ' PHE . 77.2 t -84.92 93.85 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.425 ' C ' ' N ' ' A' ' 48' ' ' LEU . 0.4 OUTLIER -46.59 -58.92 3.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 110.284 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.4 m -41.95 -28.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.974 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.505 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 18.0 mt -90.3 -61.12 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.496 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -43.34 -46.29 6.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.57 -26.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.975 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.616 HD22 ' HG3' ' A' ' 24' ' ' LYS . 1.9 tp -98.86 -48.33 4.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.464 ' HB2' HD11 ' A' ' 21' ' ' LEU . . . -62.74 -8.49 6.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 49' ' ' GLN . 57.9 m -113.03 -19.19 11.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -41.72 159.38 0.18 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.641 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.95 169.12 23.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.778 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.992 HG11 HD23 ' A' ' 17' ' ' LEU . 1.2 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.2 t -61.9 -61.91 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 0.79 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.92 -32.78 21.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -62.47 -17.43 59.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.497 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 80.5 mtt-85 -93.93 -29.76 15.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.344 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.778 HG12 HD12 ' A' ' 21' ' ' LEU . 20.7 t -77.93 -32.43 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.475 ' O ' HD12 ' A' ' 84' ' ' LEU . 1.3 m-85 -76.79 -30.55 56.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.43 ' NZ ' ' HB3' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -86.25 -37.53 18.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 78' ' ' ARG . 87.0 m-20 -71.31 -45.41 63.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.548 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . . . -58.75 -42.04 87.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.704 HD23 HD12 ' A' ' 87' ' ' LEU . 45.4 mt -62.94 -32.78 74.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.9 -57.91 10.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 83' ' ' ALA . 1.2 mp -48.82 -42.42 36.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.831 HD22 HD13 ' A' ' 92' ' ' LEU . 79.6 mt -53.54 -44.07 68.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.357 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.424 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 6.5 mt-30 -65.68 -21.22 66.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -86.36 -30.83 21.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.44 ' HB2' HD12 ' A' ' 92' ' ' LEU . 1.2 mttm -83.53 -29.97 27.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.94 16.64 16.32 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.461 1.101 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.831 HD13 HD22 ' A' ' 87' ' ' LEU . 3.1 mt -76.79 -31.43 56.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 88' ' ' GLN . 1.2 m -146.33 172.49 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.582 ' CD1' ' HB2' ' A' ' 105' ' ' TYR . 39.9 p90 -163.81 145.99 9.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.442 ' OE1' ' CE2' ' A' ' 104' ' ' TYR . 22.1 mt-30 -117.05 136.58 52.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.245 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -96.28 -45.84 6.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.15 -21.31 61.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.03 166.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.097 . . . . 0.0 109.988 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 106.84 149.93 16.71 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.456 1.098 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.7 t -68.55 142.44 55.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 109.989 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 44.7 t0 63.89 53.86 1.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.538 ' O ' ' CD1' ' A' ' 104' ' ' TYR . 27.3 mmtt -124.35 175.33 7.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 1.088 HD23 ' CE2' ' A' ' 38' ' ' TYR . 1.3 tm? -75.33 124.06 26.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.538 ' CD1' ' O ' ' A' ' 102' ' ' LYS . 59.6 m-85 -102.64 114.26 28.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.867 ' CE1' HD12 ' A' ' 103' ' ' LEU . 20.5 m-30 -80.62 124.22 28.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.573 HG22 ' CE2' ' A' ' 37' ' ' PHE . 1.6 t -67.15 163.54 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.416 HG21 ' HA ' ' A' ' 92' ' ' LEU . 9.7 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.404 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 12' ' ' LEU . 9.9 mt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.492 ' C ' HG21 ' A' ' 56' ' ' VAL . 1.7 m-20 -166.75 155.88 10.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.965 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -37.52 -40.55 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.34 -47.69 19.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -57.22 -54.99 32.8 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.058 HD23 HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -63.52 -28.93 70.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 109.301 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.906 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.0 OUTLIER -66.52 -51.2 59.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.398 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 18' ' ' THR . 22.7 t -38.47 -37.36 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.556 HD12 HD11 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -73.44 -55.22 6.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.984 HD23 HG12 ' A' ' 79' ' ' VAL . 13.9 tp -42.66 -43.15 3.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.676 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 5.2 p -39.14 -55.98 1.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.04 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.59 -37.42 86.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.757 ' HG3' HD22 ' A' ' 51' ' ' LEU . 21.9 mmtt -55.0 -40.76 70.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.597 HG21 ' CD2' ' A' ' 84' ' ' LEU . 1.3 mp -72.12 -51.5 30.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.497 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -55.96 -39.11 71.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.497 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 1.4 mm-40 -65.41 -44.41 87.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.699 ' CZ ' HG21 ' A' ' 45' ' ' VAL . 76.7 t80 -50.4 -35.57 28.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 33' ' ' LYS . 9.1 mt -66.81 -46.34 75.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -63.55 -14.14 48.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -94.0 -48.21 6.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.568 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 16.6 mmtp -79.83 -16.11 56.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 29' ' ' LEU . 8.4 mttt 57.74 65.7 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.405 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -128.76 146.41 50.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 110.981 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.519 ' HA ' HG13 ' A' ' 106' ' ' VAL . 27.3 mt-30 -106.6 8.53 31.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 p -166.7 136.76 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.601 ' CD2' HD21 ' A' ' 42' ' ' LEU . 37.0 p90 -166.62 -176.1 3.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.955 ' CZ ' HD23 ' A' ' 103' ' ' LEU . 91.9 m-85 -128.77 147.7 50.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.727 ' HA ' HD23 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -53.4 -24.87 13.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.324 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.5 ' O ' HG23 ' A' ' 44' ' ' THR . 6.6 pt20 -74.54 -13.22 60.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.533 ' O ' HG23 ' A' ' 45' ' ' VAL . 18.7 mm-40 -83.63 -14.27 52.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.874 ' N ' HD22 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -106.69 -20.85 13.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.471 ' OE2' ' CD2' ' A' ' 80' ' ' PHE . 5.5 mm-40 -65.24 -28.34 69.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 40' ' ' GLN . 3.1 p -93.94 -1.83 54.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.417 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.699 HG21 ' CZ ' ' A' ' 28' ' ' PHE . 99.0 t -89.32 106.68 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 47' ' ' SER . 0.0 OUTLIER -47.58 -54.36 11.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.292 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -38.11 -51.27 1.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.948 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.645 ' HB3' ' CE1' ' A' ' 80' ' ' PHE . 2.4 mm? -67.49 -65.84 0.64 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.558 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.0 mt-30 -38.11 -48.45 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.6 t -42.84 -28.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.005 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.816 HD23 ' HB2' ' A' ' 21' ' ' LEU . 1.7 tp -100.2 -50.66 3.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.476 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -61.43 -8.39 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.558 ' N ' ' O ' ' A' ' 49' ' ' GLN . 51.7 p -108.48 -23.8 11.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.995 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.472 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.7 OUTLIER -39.58 159.5 0.12 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.663 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.98 166.34 29.42 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 1.058 HG11 HD23 ' A' ' 17' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.495 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 79' ' ' VAL . 77.5 t -43.09 -42.73 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.28 -43.43 98.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.495 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 10.8 mt-30 -52.45 -20.14 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.463 ' NH1' ' C ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -89.87 -32.32 16.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.286 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.984 HG12 HD23 ' A' ' 21' ' ' LEU . 12.8 t -77.61 -37.68 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.645 ' CE1' ' HB3' ' A' ' 48' ' ' LEU . 7.8 m-85 -64.1 -49.34 72.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 111.041 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -43.93 85.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.475 ' HB3' HG21 ' A' ' 18' ' ' THR . 91.5 m-20 -60.39 -44.47 95.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.676 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -53.86 -47.32 71.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.683 HD23 HD12 ' A' ' 87' ' ' LEU . 17.6 mt -57.53 -51.12 70.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.8 OUTLIER -37.64 -56.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.447 HD11 HG22 ' A' ' 18' ' ' THR . 1.0 OUTLIER -54.32 -46.68 72.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.787 HD22 HD13 ' A' ' 92' ' ' LEU . 73.4 mt -49.91 -44.75 50.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -64.12 -25.18 67.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.257 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -80.49 -34.64 35.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.44 ' HB2' HD12 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -79.57 -28.82 41.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.14 17.8 17.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.787 HD13 HD22 ' A' ' 87' ' ' LEU . 3.1 mt -76.3 -37.03 58.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 0.738 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 105' ' ' TYR . 1.3 m -139.76 176.24 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 6.5 p90 -162.86 146.23 11.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -107.93 127.33 53.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -101.31 -66.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.097 . . . . 0.0 110.282 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 98' ' ' SER . 60.0 m-20 -52.91 -23.82 7.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 97' ' ' ASP . 0.4 OUTLIER 61.0 141.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.411 ' CA ' ' HG3' ' A' ' 102' ' ' LYS . . . 133.25 159.04 8.96 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.537 1.148 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.2 p -58.94 -73.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.753 . . . . 0.0 109.975 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -79.13 75.45 5.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.411 ' HG3' ' CA ' ' A' ' 99' ' ' GLY . 37.2 mmtt -132.45 163.84 27.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.955 HD23 ' CZ ' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -75.94 127.56 33.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.806 ' N ' HD13 ' A' ' 103' ' ' LEU . 55.0 m-85 -95.23 104.06 15.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.865 ' CD1' HD12 ' A' ' 103' ' ' LEU . 22.5 m-30 -73.83 126.82 31.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.519 HG13 ' HA ' ' A' ' 35' ' ' GLN . 0.7 OUTLIER -101.18 147.35 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 106' ' ' VAL . 1.7 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.39 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 12' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.608 ' HA ' HG12 ' A' ' 56' ' ' VAL . 0.1 OUTLIER 174.84 158.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.819 ' N ' HG11 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -41.82 -28.32 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 13' ' ' ASP . . . -94.01 -38.49 11.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -66.03 -51.56 44.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.901 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -66.68 -32.96 74.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.685 ' OG1' HG13 ' A' ' 79' ' ' VAL . 0.9 OUTLIER -60.81 -56.12 24.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 110.394 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.4 t -39.98 -45.6 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.972 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.65 HD12 HD11 ' A' ' 51' ' ' LEU . 1.4 tm? -61.92 -50.45 72.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.04 HD23 HG12 ' A' ' 79' ' ' VAL . 7.3 tp -47.59 -44.15 26.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.477 ' O ' HD21 ' A' ' 87' ' ' LEU . 3.5 p -43.22 -50.74 6.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.972 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 4.2 mt-10 -65.08 -30.18 71.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.721 ' HB2' HD12 ' A' ' 21' ' ' LEU . 12.3 mmtt -65.94 -42.32 90.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.729 ' O ' HD22 ' A' ' 29' ' ' LEU . 3.0 mt -73.13 -45.39 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.512 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -58.99 -38.61 79.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.512 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 4.7 mm-40 -69.73 -44.84 69.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.812 ' CE1' HG21 ' A' ' 45' ' ' VAL . 77.9 t80 -43.73 -39.58 3.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.729 HD22 ' O ' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -61.43 -46.08 91.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -66.87 -15.39 63.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -90.43 -48.15 7.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.571 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 24.1 mmtp -80.95 -16.41 53.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER 57.8 64.68 1.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.457 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -127.56 143.11 51.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 110.985 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -96.16 1.11 52.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.412 ' CB ' HD11 ' A' ' 103' ' ' LEU . 0.3 OUTLIER -165.04 141.14 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.984 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.563 ' CD2' HD21 ' A' ' 42' ' ' LEU . 44.5 p90 -165.17 -179.48 5.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 1.0 ' CZ ' HD23 ' A' ' 103' ' ' LEU . 97.4 m-85 -125.8 149.27 48.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.742 ' HA ' HD23 ' A' ' 42' ' ' LEU . 26.6 tt0 -53.18 -25.8 15.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.503 ' O ' HG23 ' A' ' 44' ' ' THR . 6.3 pt20 -73.37 -13.95 61.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.563 ' O ' HG23 ' A' ' 45' ' ' VAL . 14.7 mm-40 -83.24 -10.75 58.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.884 ' N ' HD22 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -110.14 -21.22 12.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.424 ' OE2' ' NE2' ' A' ' 39' ' ' GLN . 39.2 mt-10 -65.0 -29.91 70.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 40' ' ' GLN . 2.2 p -93.48 -2.69 54.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 110.362 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.812 HG21 ' CE1' ' A' ' 28' ' ' PHE . 95.9 t -87.51 96.93 6.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -40.85 -49.29 3.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.261 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.63 -50.7 4.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.991 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.636 ' HB3' ' CE1' ' A' ' 80' ' ' PHE . 2.7 mm? -69.39 -64.3 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.544 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -39.83 -48.44 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.263 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.87 -27.8 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.675 HD23 ' HB2' ' A' ' 21' ' ' LEU . 2.4 tp -99.97 -46.78 5.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.639 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -66.69 -3.07 5.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.544 ' N ' ' O ' ' A' ' 49' ' ' GLN . 24.0 t -113.94 -13.58 12.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.995 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.426 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -51.11 159.08 1.09 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.443 ' C ' ' CG2' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.04 168.34 25.03 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.819 HG11 ' N ' ' A' ' 14' ' ' LEU . 1.7 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.452 ' O ' HG23 ' A' ' 79' ' ' VAL . 50.2 t -43.16 -62.39 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 0.773 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.2 -49.09 61.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -51.48 -31.02 22.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.285 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.52 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 74.6 mtt-85 -77.72 -33.97 52.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 1.04 HG12 HD23 ' A' ' 21' ' ' LEU . 21.2 t -72.84 -32.7 41.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.636 ' CE1' ' HB3' ' A' ' 48' ' ' LEU . 5.4 m-85 -69.94 -35.99 74.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.504 ' CB ' ' OE1' ' A' ' 39' ' ' GLN . 0.1 OUTLIER -79.78 -45.98 17.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.66 ' O ' HD12 ' A' ' 86' ' ' LEU . 86.2 m-20 -61.17 -30.35 70.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.9 -42.22 70.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.729 HD21 HG21 ' A' ' 25' ' ' ILE . 23.5 mt -62.65 -47.85 81.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.17 -54.87 2.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 82' ' ' ASN . 1.1 mp -52.54 -44.48 65.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.699 HD12 HD23 ' A' ' 84' ' ' LEU . 29.0 mt -51.9 -45.75 64.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -64.91 -20.21 66.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -87.6 -29.63 21.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.448 ' HB2' HD12 ' A' ' 92' ' ' LEU . 6.9 mttm -85.49 -29.45 24.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.13 16.24 19.36 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.483 1.115 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.684 HD13 HD22 ' A' ' 87' ' ' LEU . 3.1 mt -76.97 -33.62 57.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.425 ' HA ' ' O ' ' A' ' 105' ' ' TYR . 1.2 m -142.14 172.49 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.24 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 31.8 p90 -162.25 148.54 13.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.535 ' OE1' ' CE1' ' A' ' 104' ' ' TYR . 33.4 mt-30 -115.79 118.13 32.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.264 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.405 ' O ' ' CG ' ' A' ' 97' ' ' ASP . 2.5 mtt180 -105.61 75.67 1.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 96' ' ' ARG . 4.0 m-20 175.3 -35.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.0 p 77.06 116.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.974 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 162.13 179.41 36.75 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.546 1.154 . . . . 0.0 111.046 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.8 p -93.85 -59.66 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 109.979 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -88.27 79.03 7.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -136.17 166.19 23.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 1.0 HD23 ' CZ ' ' A' ' 38' ' ' TYR . 1.1 tm? -75.99 127.07 32.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.81 ' N ' HD13 ' A' ' 103' ' ' LEU . 64.3 m-85 -91.94 104.81 17.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.886 ' CD1' HD12 ' A' ' 103' ' ' LEU . 23.3 m-30 -75.15 132.29 41.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.426 HG22 ' CE1' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -85.78 162.06 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 92' ' ' LEU . 4.9 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.374 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 12' ' ' LEU . 7.7 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.436 ' C ' HG21 ' A' ' 56' ' ' VAL . 3.1 p-10 -174.79 155.62 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.87 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -37.43 -47.34 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.25 -55.5 15.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.075 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.41 -59.62 9.35 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.089 HD23 HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -55.26 -36.98 66.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.704 HG22 HD11 ' A' ' 86' ' ' LEU . 1.7 m -62.94 -52.67 62.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.424 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.42 ' HA ' HD13 ' A' ' 86' ' ' LEU . 8.4 t -40.75 -50.62 3.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.041 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.68 ' HG ' HD11 ' A' ' 51' ' ' LEU . 3.9 tp -57.47 -57.28 13.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.822 ' HA ' HD13 ' A' ' 51' ' ' LEU . 19.7 tp -41.72 -48.28 4.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.502 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 4.1 p -41.38 -52.23 3.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 110.025 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 3.6 mt-10 -63.5 -34.9 78.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.909 ' HG3' HD12 ' A' ' 51' ' ' LEU . 3.5 mmtt -61.6 -43.95 97.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.678 HG23 ' HG ' ' A' ' 42' ' ' LEU . 5.0 mt -73.02 -47.82 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.515 ' HD2' ' CD2' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -56.18 -37.11 69.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 23' ' ' GLU . 1.4 mm-40 -66.77 -42.36 86.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.573 ' CE1' ' HE3' ' A' ' 32' ' ' LYS . 83.6 t80 -54.69 -28.85 50.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 33' ' ' LYS . 9.7 mt -71.07 -48.75 50.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -64.56 -11.93 39.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -93.76 -47.05 6.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.573 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 14.5 mmtp -83.02 -10.71 58.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER 48.47 61.72 2.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.464 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -112.01 158.57 19.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 111.054 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -109.73 -0.75 18.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.253 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.418 ' CB ' HD11 ' A' ' 103' ' ' LEU . 0.3 OUTLIER -166.6 150.71 7.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.972 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.638 ' O ' HD22 ' A' ' 103' ' ' LEU . 43.6 p90 -174.06 -175.41 1.03 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.956 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.945 ' CZ ' HD23 ' A' ' 103' ' ' LEU . 82.9 m-85 -130.16 145.61 51.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.678 ' HA ' HD23 ' A' ' 42' ' ' LEU . 1.8 tt0 -52.48 -29.39 24.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.445 ' O ' HG23 ' A' ' 44' ' ' THR . 3.9 pt20 -71.94 -13.48 61.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.318 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.458 ' C ' HD22 ' A' ' 42' ' ' LEU . 5.9 mm-40 -83.66 -10.26 58.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.827 ' N ' HD22 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -103.1 -23.63 13.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.505 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 3.6 mm-40 -66.65 -23.59 66.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 40' ' ' GLN . 9.0 p -82.16 -17.31 46.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.455 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.848 ' HB ' HD12 ' A' ' 48' ' ' LEU . 38.4 t -81.07 111.11 17.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -52.86 -62.52 1.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.5 m -38.79 -30.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.082 . . . . 0.0 109.976 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.848 HD12 ' HB ' ' A' ' 45' ' ' VAL . 88.8 mt -84.36 -56.99 3.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -47.53 -44.17 25.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.245 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.405 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 4.9 t -53.6 -21.15 6.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.983 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.909 HD12 ' HG3' ' A' ' 24' ' ' LYS . 0.6 OUTLIER -98.45 -54.37 3.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.808 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -65.88 -4.94 7.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 49' ' ' GLN . 40.2 p -111.73 -14.95 13.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.995 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 1.8 mtt180 -47.98 157.87 0.6 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.641 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.01 169.51 22.47 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.45 1.763 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 1.089 HG11 HD23 ' A' ' 17' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.247 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.574 HG13 ' N ' ' A' ' 76' ' ' ALA . 11.3 p -71.6 -56.0 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.574 ' N ' HG13 ' A' ' 75' ' ' VAL . . . -60.68 -24.05 65.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -64.15 -28.26 69.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.553 ' HG2' HG23 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -81.12 -26.44 36.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.699 HG13 ' OG1' ' A' ' 18' ' ' THR . 6.5 t -88.53 -35.04 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.516 ' CE2' ' HB3' ' A' ' 52' ' ' ALA . 1.9 m-85 -70.6 -51.82 25.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.142 . . . . 0.0 110.967 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 82' ' ' ASN . 0.3 OUTLIER -55.6 -38.62 69.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.655 ' HB3' HG21 ' A' ' 18' ' ' THR . 6.8 m120 -68.35 -40.07 81.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.502 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -51.77 -58.07 7.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.634 HD13 HD12 ' A' ' 87' ' ' LEU . 3.6 mm? -50.44 -51.43 46.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.64 -61.57 1.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.704 HD11 HG22 ' A' ' 18' ' ' THR . 1.3 mt -45.66 -51.38 12.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.634 HD12 HD13 ' A' ' 84' ' ' LEU . 49.3 mt -46.97 -42.72 18.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.763 ' OE1' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -65.68 -29.12 69.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.291 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 86' ' ' LEU . 0.7 OUTLIER -75.86 -25.4 56.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.541 ' HB2' HD12 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -89.7 -30.18 18.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 106.36 9.07 32.17 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.525 1.141 . . . . 0.0 111.043 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.577 HD13 HD22 ' A' ' 87' ' ' LEU . 2.0 mt -67.39 -46.9 71.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.763 HG23 ' OE1' ' A' ' 88' ' ' GLN . 3.2 m -132.08 178.1 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.576 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 20.4 p90 -163.53 156.76 18.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -119.92 133.68 55.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -108.23 -53.12 2.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -57.86 -22.08 46.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.2 m 62.08 131.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 110.018 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 136.39 144.27 4.81 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 t -54.47 -58.54 7.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.006 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -85.01 67.39 10.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -130.61 168.2 17.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.945 HD23 ' CZ ' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -77.66 125.38 29.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.787 ' N ' HD13 ' A' ' 103' ' ' LEU . 26.6 m-85 -91.69 110.98 22.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 111.049 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.872 ' CD1' HD12 ' A' ' 103' ' ' LEU . 22.5 m-30 -81.35 127.27 32.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.951 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.5 p -95.78 147.19 6.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 12' ' ' LEU . 9.3 mt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.452 ' C ' HG21 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -163.11 151.0 13.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.494 ' CD2' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -38.75 -32.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 13' ' ' ASP . . . -84.31 -48.22 9.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -58.47 -54.54 36.88 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.533 1.145 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.026 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -62.45 -28.24 69.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.455 HG21 ' HB3' ' A' ' 82' ' ' ASN . 0.9 OUTLIER -66.73 -55.47 14.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.367 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.4 t -41.41 -46.17 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.988 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.045 HD13 HD11 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -62.07 -54.78 36.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.842 ' CD2' ' HB2' ' A' ' 52' ' ' ALA . 30.9 tp -48.6 -47.53 39.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.504 ' O ' HD21 ' A' ' 87' ' ' LEU . 6.1 p -39.98 -54.62 2.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.003 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.93 -38.29 81.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.763 ' HG3' HD12 ' A' ' 51' ' ' LEU . 7.7 mmtt -57.82 -39.59 77.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.569 HG23 ' CD1' ' A' ' 42' ' ' LEU . 4.1 mt -72.96 -52.02 24.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.505 ' HB2' ' HG ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -55.33 -35.77 65.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -71.74 -35.02 69.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.083 . . . . 0.0 110.301 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.595 ' CE2' ' HG3' ' A' ' 32' ' ' LYS . 69.9 t80 -62.38 -39.08 92.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.497 HD21 ' CE2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -58.38 -52.88 63.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -65.44 -11.82 46.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -90.89 -39.3 12.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.595 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 20.0 mmtp -90.02 -13.83 35.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 56.69 65.11 1.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.456 ' CE ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -125.82 157.28 37.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 110.955 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -116.51 10.62 14.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.3 p -166.85 145.95 5.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.977 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.752 ' CE1' HD11 ' A' ' 42' ' ' LEU . 30.0 p90 -178.1 163.81 1.75 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 111.048 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 1.009 ' CE2' HD23 ' A' ' 103' ' ' LEU . 48.5 m-85 -114.61 163.83 14.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -62.54 -26.63 68.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.452 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 10.4 pt20 -73.7 -43.77 58.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.34 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.452 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 4.6 mm-40 -56.08 -18.64 10.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.752 HD11 ' CE1' ' A' ' 37' ' ' PHE . 11.2 mt -103.15 -17.74 15.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.426 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 12.1 mm-40 -68.09 -8.54 38.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.7 p -105.12 -2.11 24.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.408 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.467 HG23 ' HA ' ' A' ' 42' ' ' LEU . 53.2 t -86.13 107.65 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -54.25 -63.51 1.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.5 OUTLIER -38.06 -31.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.994 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.515 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 14.1 mt -84.37 -60.52 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.559 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.0 mt-30 -46.39 -47.34 18.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.62 -23.15 1.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.942 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 1.045 HD11 HD13 ' A' ' 20' ' ' LEU . 1.3 tt -98.83 -55.09 2.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.107 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.842 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -64.4 -5.92 6.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.559 ' N ' ' O ' ' A' ' 49' ' ' GLN . 22.7 t -107.24 -20.32 13.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.079 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.501 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -42.08 157.42 0.22 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.243 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.675 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.02 169.87 21.67 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.799 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 1.0 HG11 HD23 ' A' ' 17' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.57 HG13 ' N ' ' A' ' 76' ' ' ALA . 10.6 p -70.16 -54.65 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.57 ' N ' HG13 ' A' ' 75' ' ' VAL . . . -62.04 -26.47 68.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -58.88 -21.25 56.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' A' ' 75' ' ' VAL . 7.7 ptp180 -89.65 -33.36 16.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.253 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.528 HG23 ' HG2' ' A' ' 78' ' ' ARG . 3.7 t -81.75 -32.56 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.493 ' CE2' ' HB3' ' A' ' 52' ' ' ALA . 2.0 m-85 -69.36 -45.31 69.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -39.25 90.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.455 ' HB3' HG21 ' A' ' 18' ' ' THR . 73.6 m-20 -69.36 -45.38 69.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.94 -43.52 69.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.532 ' CD2' HG21 ' A' ' 25' ' ' ILE . 47.6 mt -62.52 -33.53 75.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.65 -55.73 30.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.564 ' H ' HD22 ' A' ' 86' ' ' LEU . 3.1 mm? -49.96 -43.64 50.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.504 HD21 ' O ' ' A' ' 22' ' ' SER . 5.4 mt -54.19 -51.34 64.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.446 ' HG2' HG23 ' A' ' 93' ' ' VAL . 9.4 mt-30 -57.32 -19.38 22.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -93.67 -29.08 15.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.632 ' HB2' HD23 ' A' ' 92' ' ' LEU . 1.3 mttm -83.34 -14.11 53.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.66 7.65 61.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.632 HD23 ' HB2' ' A' ' 90' ' ' LYS . 4.1 mm? -64.54 -56.07 16.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.248 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.446 HG23 ' HG2' ' A' ' 88' ' ' GLN . 2.8 m -124.18 -180.0 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.503 ' CE1' ' HB2' ' A' ' 105' ' ' TYR . 12.7 p90 -161.46 145.02 12.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -105.55 125.36 50.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.289 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -82.55 -50.91 8.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.53 111.4 24.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.11 134.9 17.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 150.94 133.51 2.07 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.469 1.106 . . . . 0.0 111.03 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 m -81.8 56.32 3.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 0.772 . . . . 0.0 109.977 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.9 t0 178.75 49.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -127.96 156.46 42.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 1.009 HD23 ' CE2' ' A' ' 38' ' ' TYR . 1.1 tm? -61.96 122.17 14.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.724 ' N ' HD13 ' A' ' 103' ' ' LEU . 81.1 m-85 -83.15 105.27 13.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.822 ' CD1' HD12 ' A' ' 103' ' ' LEU . 36.4 m-85 -84.72 135.58 34.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -80.59 164.9 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 92' ' ' LEU . 8.7 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 110.405 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 12' ' ' LEU . 9.1 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.524 ' C ' HG21 ' A' ' 56' ' ' VAL . 0.5 OUTLIER -164.93 153.45 12.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.542 ' CD2' HG22 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -37.43 -37.82 0.21 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.41 ' O ' ' HB ' ' A' ' 18' ' ' THR . . . -75.83 -50.75 14.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.234 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -57.19 -56.58 24.3 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.07 HD23 HG11 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -58.77 -29.87 67.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.701 HG21 ' HB3' ' A' ' 82' ' ' ASN . 1.0 OUTLIER -66.9 -56.14 11.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 18' ' ' THR . 29.0 t -38.67 -38.5 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 tp -70.41 -58.88 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.808 HD23 HG12 ' A' ' 79' ' ' VAL . 6.8 tp -41.15 -44.58 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.873 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -44.77 -48.57 10.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.566 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . 4.8 mt-10 -67.55 -27.65 67.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.936 ' HG3' HD22 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -71.51 -40.29 70.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.769 HD11 ' CD1' ' A' ' 80' ' ' PHE . 3.2 mt -75.82 -44.51 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.566 ' CE ' ' HA ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -60.21 -39.75 87.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.529 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 4.6 mm-40 -67.41 -45.31 76.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.338 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.824 ' CE1' HG21 ' A' ' 45' ' ' VAL . 82.3 t80 -48.29 -34.68 10.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.956 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.803 HD21 ' CZ ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -61.62 -47.76 83.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -71.32 -13.13 61.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -90.07 -39.71 12.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.587 ' HG3' ' CZ ' ' A' ' 28' ' ' PHE . 51.6 mmtt -89.19 -13.53 38.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt 55.09 58.71 4.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.497 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -117.52 158.8 23.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -112.9 2.54 15.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.343 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.3 p -166.6 148.94 6.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.803 ' CZ ' HD21 ' A' ' 29' ' ' LEU . 14.3 p90 -177.83 -178.23 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.066 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.987 ' CZ ' HD23 ' A' ' 103' ' ' LEU . 90.6 m-85 -128.23 147.82 50.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.72 ' HA ' HD23 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -53.18 -19.49 3.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.254 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -80.05 -14.19 58.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.418 ' C ' HD22 ' A' ' 42' ' ' LEU . 18.1 mm-40 -83.29 -10.38 58.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.276 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.885 ' N ' HD22 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -106.25 -22.5 12.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.442 ' O ' ' CD ' ' A' ' 49' ' ' GLN . 2.4 mm-40 -64.86 -18.55 65.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.1 p -96.19 -10.4 28.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 110.389 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.824 HG21 ' CE1' ' A' ' 28' ' ' PHE . 76.9 t -80.47 95.25 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.44 -52.33 10.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 73.9 m -48.18 -24.2 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.995 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' ' 42' ' ' LEU . 61.0 mt -95.01 -57.08 2.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.496 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -43.37 -42.81 4.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.71 -24.51 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.013 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.936 HD22 ' HG3' ' A' ' 24' ' ' LYS . 2.3 tp -98.28 -49.23 4.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.539 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -64.35 -7.08 8.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 49' ' ' GLN . 35.0 t -109.33 -20.68 12.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.967 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.7 OUTLIER -44.36 159.55 0.25 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.289 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.584 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.1 Cg_endo -75.06 167.92 25.94 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 1.07 HG11 HD23 ' A' ' 17' ' ' LEU . 1.4 p . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.514 ' O ' ' CZ ' ' A' ' 78' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.575 HG13 ' N ' ' A' ' 76' ' ' ALA . 13.2 p -63.91 -56.25 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.575 ' N ' HG13 ' A' ' 75' ' ' VAL . . . -50.54 -31.86 16.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -64.41 -22.83 67.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.514 ' CZ ' ' O ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -86.32 -30.81 21.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.808 HG12 HD23 ' A' ' 21' ' ' LEU . 25.5 t -80.53 -41.72 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.769 ' CD1' HD11 ' A' ' 25' ' ' ILE . 2.1 m-85 -66.02 -59.55 3.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.77 -35.8 23.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.701 ' HB3' HG21 ' A' ' 18' ' ' THR . 78.4 m-20 -67.56 -45.81 74.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.873 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -47.83 -56.38 7.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.559 ' HG ' ' CD2' ' A' ' 104' ' ' TYR . 3.0 mm? -50.55 -49.76 55.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.94 -57.58 4.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.349 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.525 HD11 HG22 ' A' ' 18' ' ' THR . 1.0 OUTLIER -56.97 -47.57 80.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.597 HD13 ' HB2' ' A' ' 22' ' ' SER . 0.0 OUTLIER -46.74 -49.77 19.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -57.83 -39.45 77.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -64.98 -32.28 73.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.435 ' NZ ' ' HB3' ' A' ' 86' ' ' LEU . 5.2 mttp -83.83 -27.34 28.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.17 11.74 33.24 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.466 1.104 . . . . 0.0 110.965 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 87' ' ' LEU . 4.1 mt -68.22 -41.84 80.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.789 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 105' ' ' TYR . 2.9 m -135.83 178.12 5.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 18.9 p90 -161.58 148.47 14.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -108.6 139.43 43.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.564 ' HG3' ' CE2' ' A' ' 105' ' ' TYR . 19.7 mtm180 -109.58 38.99 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.68 108.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.41 107.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.056 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -167.41 170.58 41.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.463 1.102 . . . . 0.0 111.045 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.34 -19.34 20.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.756 . . . . 0.0 110.035 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.3 89.64 2.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.0 mmtm -136.69 178.35 7.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.987 HD23 ' CZ ' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -80.37 122.72 27.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.752 ' N ' HD13 ' A' ' 103' ' ' LEU . 30.4 m-85 -89.99 91.1 8.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.654 ' CD1' HD12 ' A' ' 103' ' ' LEU . 63.4 m-85 -70.87 116.97 11.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.415 ' H ' HG12 ' A' ' 106' ' ' VAL . 1.2 p -75.73 156.14 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 92' ' ' LEU . 2.2 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.399 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 12' ' ' LEU . 3.2 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.743 ' OD2' ' HB3' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -179.48 155.82 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.674 HD11 ' OD1' ' A' ' 82' ' ' ASN . 6.0 tp -36.08 -33.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.743 ' HB3' ' OD2' ' A' ' 13' ' ' ASP . . . -78.7 -55.33 5.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -60.17 -43.86 97.97 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.91 HD12 HG11 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -60.65 -27.89 68.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 0.783 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.637 HG23 ' HA ' ' A' ' 83' ' ' ALA . 1.3 m -76.91 -55.5 5.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.362 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.4 t -43.39 -39.98 3.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.968 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.895 ' HG ' HD11 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -71.26 -65.43 0.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.963 ' CD1' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -41.34 -52.7 3.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . 1.072 ' O ' HD21 ' A' ' 87' ' ' LEU . 45.4 p -37.97 -34.99 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 110.032 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 20' ' ' LEU . 5.7 mm-40 -80.55 -43.25 20.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.978 ' HG3' HD12 ' A' ' 51' ' ' LEU . 1.7 mmpt? -58.65 -51.21 70.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.963 HD11 ' CD1' ' A' ' 21' ' ' LEU . 5.2 mt -57.16 -51.06 74.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.466 ' HD2' ' CD2' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -56.98 -40.32 76.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -60.73 -41.45 95.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.311 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.734 ' CE2' HG21 ' A' ' 45' ' ' VAL . 23.5 t80 -53.71 -47.84 70.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.546 ' O ' ' N ' ' A' ' 33' ' ' LYS . 8.1 mt -51.67 -47.16 63.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -65.19 -19.09 65.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -88.38 -48.69 7.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.587 ' HG3' ' CZ ' ' A' ' 28' ' ' PHE . 3.5 mmmt -81.39 -15.31 55.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' A' ' 29' ' ' LEU . 23.0 mmtt 49.34 65.12 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.53 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -112.54 174.72 5.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.953 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -123.26 -2.6 8.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.456 ' HB2' HD11 ' A' ' 103' ' ' LEU . 0.2 OUTLIER -166.26 155.53 11.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.036 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.865 ' CE1' HD11 ' A' ' 42' ' ' LEU . 34.6 p90 -175.73 169.61 2.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.964 ' CE2' HD23 ' A' ' 103' ' ' LEU . 39.8 m-85 -117.38 160.24 21.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -60.66 -30.32 69.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.344 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.414 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 11.1 pt20 -74.61 -41.48 60.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.414 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 9.2 mm-40 -58.9 -14.9 10.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.257 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.897 HD13 HG23 ' A' ' 25' ' ' ILE . 9.2 mt -99.35 -23.57 15.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.46 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 23.7 mt-10 -63.31 -15.95 58.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.7 p -100.79 -2.41 32.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.734 HG21 ' CE2' ' A' ' 28' ' ' PHE . 92.2 t -87.69 91.46 3.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.08 -52.0 12.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.6 m -43.82 -27.56 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.989 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.439 ' HG ' ' CG1' ' A' ' 45' ' ' VAL . 24.5 mt -94.4 -59.76 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.633 ' O ' ' N ' ' A' ' 53' ' ' SER . 13.1 mm-40 -44.42 -48.38 9.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.06 -22.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.978 HD12 ' HG3' ' A' ' 24' ' ' LYS . 0.8 OUTLIER -98.58 -66.32 0.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.744 ' HB2' ' CD1' ' A' ' 21' ' ' LEU . . . -54.28 -38.38 65.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.633 ' N ' ' O ' ' A' ' 49' ' ' GLN . 8.5 t -61.38 -24.07 66.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.029 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.563 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 44.2 mtt180 -45.97 153.69 0.64 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.654 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.97 171.23 18.72 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.52 1.8 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.91 HG11 HD12 ' A' ' 17' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.6 t -48.45 -66.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 109.321 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -47.42 -49.76 24.34 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.43 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 1.9 mp0 -47.01 -27.52 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.343 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.467 ' HA ' ' CD ' ' A' ' 81' ' ' LYS . 44.4 mtt85 -87.27 -43.82 11.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.584 HG11 HD22 ' A' ' 17' ' ' LEU . 12.4 t -66.46 -32.29 57.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.441 ' CE2' ' HA ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -74.12 -46.64 41.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 110.949 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.467 ' CD ' ' HA ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -66.95 -38.85 86.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.674 ' OD1' HD11 ' A' ' 14' ' ' LEU . 18.8 m120 -71.66 -47.23 55.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.637 ' HA ' HG23 ' A' ' 18' ' ' THR . . . -52.17 -42.67 63.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.435 ' CD2' HG21 ' A' ' 25' ' ' ILE . 34.7 mt -61.01 -35.51 77.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.78 -55.14 38.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -46.18 -38.9 8.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.072 HD21 ' O ' ' A' ' 22' ' ' SER . 61.9 mt -66.89 -43.16 84.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.472 ' HG2' HG23 ' A' ' 93' ' ' VAL . 10.3 mt-30 -66.78 -15.58 63.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -92.33 -26.49 18.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.493 ' HB2' HD12 ' A' ' 92' ' ' LEU . 1.2 mttm -87.06 -29.75 21.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 107.39 10.58 27.16 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.721 HD13 HD22 ' A' ' 87' ' ' LEU . 2.4 mt -70.89 -45.5 64.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.472 HG23 ' HG2' ' A' ' 88' ' ' GLN . 2.8 m -128.23 172.96 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.59 ' CE2' ' CB ' ' A' ' 105' ' ' TYR . 8.2 p90 -162.18 143.67 10.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -111.1 118.17 35.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.2 mmp_? -87.16 51.4 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 166.57 100.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 m -55.39 102.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.969 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -179.07 134.09 2.23 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.6 m -81.23 52.89 1.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 110.049 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -177.28 37.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -117.53 179.33 4.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.975 HD12 ' CE1' ' A' ' 105' ' ' TYR . 1.7 tm? -86.03 132.62 34.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.84 ' N ' HD13 ' A' ' 103' ' ' LEU . 64.4 m-85 -93.53 117.72 30.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.975 ' CE1' HD12 ' A' ' 103' ' ' LEU . 23.0 m-30 -92.29 135.56 33.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.511 ' HB ' HD13 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -100.56 149.07 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.389 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 12' ' ' LEU . 9.6 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -167.69 152.24 6.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.858 HD21 HG22 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -38.38 -31.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.446 ' N ' ' C ' ' A' ' 13' ' ' ASP . . . -82.92 -49.54 9.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -60.5 -54.21 39.07 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.011 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -58.74 -35.32 72.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.769 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.2 m -64.85 -54.52 29.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.407 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 18' ' ' THR . 10.5 t -38.17 -35.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.989 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.697 ' HG ' HD11 ' A' ' 51' ' ' LEU . 2.2 tp -74.7 -58.77 3.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.886 ' HA ' HD13 ' A' ' 51' ' ' LEU . 46.2 tp -40.31 -49.71 2.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.167 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.611 ' OG ' HD13 ' A' ' 86' ' ' LEU . 0.9 OUTLIER -43.12 -55.19 4.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.45 -33.39 72.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.878 ' HG3' HD12 ' A' ' 51' ' ' LEU . 4.2 mmtt -63.88 -38.61 91.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.613 HG21 HD21 ' A' ' 84' ' ' LEU . 3.6 mt -73.41 -45.89 50.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.492 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -58.47 -37.98 76.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.492 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 3.4 mm-40 -68.48 -42.92 77.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.592 ' CZ ' ' HG3' ' A' ' 32' ' ' LYS . 73.6 t80 -50.11 -50.65 47.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 111.045 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.687 HD21 ' CE1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -47.04 -45.54 21.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -67.14 -26.0 66.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.33 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 28' ' ' PHE . 2.9 tp10 -77.27 -44.32 30.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.592 ' HG3' ' CZ ' ' A' ' 28' ' ' PHE . 3.1 mmmt -83.17 -20.9 33.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.9 OUTLIER 61.14 62.59 1.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.568 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -120.51 174.79 6.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -125.35 1.95 7.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.3 p -166.84 151.11 7.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.004 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.687 ' CE1' HD21 ' A' ' 29' ' ' LEU . 37.0 p90 -177.04 162.13 1.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 1.088 ' CE1' HD12 ' A' ' 103' ' ' LEU . 63.5 m-85 -112.61 152.95 28.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -53.38 -39.29 64.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -60.83 -35.64 77.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -67.35 -14.98 63.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.673 HD11 ' CE2' ' A' ' 37' ' ' PHE . 12.3 mt -105.77 -20.8 13.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.423 ' O ' ' CD ' ' A' ' 49' ' ' GLN . 27.4 mt-10 -61.78 -13.2 21.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.7 p -101.41 -3.18 29.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.417 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.515 HG23 ' HA ' ' A' ' 42' ' ' LEU . 59.4 t -85.85 109.04 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -56.05 -58.96 5.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.8 m -38.83 -35.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.612 HD12 ' HB3' ' A' ' 42' ' ' LEU . 17.5 mt -83.04 -59.56 2.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.567 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.3 OUTLIER -46.36 -48.1 18.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.47 -23.81 2.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.886 HD13 ' HA ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -98.06 -55.42 2.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.836 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -63.74 -7.58 8.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.567 ' N ' ' O ' ' A' ' 49' ' ' GLN . 21.9 t -108.22 -19.79 13.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -41.95 158.34 0.2 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.652 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -75.09 169.4 22.65 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.536 1.808 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 1.004 HG11 HD23 ' A' ' 17' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 78' ' ' ARG . 60.7 t -46.62 -50.25 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.775 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 52' ' ' ALA . . . -48.08 -44.35 31.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 7.2 mt-30 -61.88 -19.98 63.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.497 ' HG2' HD11 ' A' ' 14' ' ' LEU . 6.4 ttt180 -92.65 -16.28 25.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.858 HG22 HD21 ' A' ' 14' ' ' LEU . 25.3 t -94.75 -31.2 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -68.59 -45.57 71.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 82' ' ' ASN . 0.1 OUTLIER -64.96 -37.59 88.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.714 ' HB3' HG21 ' A' ' 18' ' ' THR . 40.2 m-20 -71.0 -37.55 72.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.54 -54.45 32.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.893 HD13 ' CD2' ' A' ' 104' ' ' TYR . 38.6 mt -55.4 -45.89 76.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.59 -59.18 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.631 HD12 ' O ' ' A' ' 82' ' ' ASN . 1.2 mp -48.66 -52.1 25.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.709 HD12 HD23 ' A' ' 84' ' ' LEU . 40.0 mt -44.54 -43.04 7.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -64.19 -31.62 72.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.262 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 86' ' ' LEU . 0.8 OUTLIER -76.49 -45.71 29.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.468 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 0.4 OUTLIER -67.53 -27.35 66.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.1 23.44 13.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.603 HD13 HD22 ' A' ' 87' ' ' LEU . 3.8 mt -83.63 -28.39 28.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.746 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.493 HG13 ' HB3' ' A' ' 87' ' ' LEU . 1.7 m -144.61 175.31 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 105' ' ' TYR . 17.5 p90 -161.78 147.69 13.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.652 ' NE2' ' CE1' ' A' ' 104' ' ' TYR . 3.1 mm100 -94.76 152.55 18.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -126.65 45.3 2.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.526 ' HB2' ' CE ' ' A' ' 102' ' ' LYS . 7.2 t0 -156.77 -68.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.0 t -179.42 32.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.602 ' HA2' ' NE2' ' A' ' 95' ' ' GLN . . . 52.77 -169.06 0.78 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 99' ' ' GLY . 0.3 OUTLIER 57.1 110.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.767 . . . . 0.0 110.022 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.3 t0 46.38 64.67 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.256 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.579 ' HB2' ' NE2' ' A' ' 95' ' ' GLN . 13.9 mmmt -124.68 -178.28 4.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 1.088 HD12 ' CE1' ' A' ' 38' ' ' TYR . 5.7 tt -62.47 -74.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.947 ' HB2' ' O ' ' A' ' 103' ' ' LEU . 29.5 m-85 103.2 73.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.753 ' CD1' HD22 ' A' ' 103' ' ' LEU . 92.7 m-85 -73.7 116.66 14.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.454 ' H ' HG12 ' A' ' 106' ' ' VAL . 1.4 p -64.97 151.7 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 92' ' ' LEU . 2.9 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.427 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.649 HD12 ' H ' ' A' ' 13' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.649 ' H ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER 179.76 140.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 1.08 HD21 HG22 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -37.88 -46.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.353 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.65 -45.95 70.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.599 ' HA3' ' CD1' ' A' ' 12' ' ' LEU . . . -60.27 -51.99 55.46 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.15 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.002 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -68.08 -28.06 67.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 0.787 . . . . 0.0 109.326 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.524 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 1.1 m -63.27 -56.19 18.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 110.423 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 18' ' ' THR . 21.0 t -38.3 -50.27 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.025 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.706 ' HG ' HD11 ' A' ' 51' ' ' LEU . 1.6 tp -57.17 -58.14 9.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.841 ' CD2' ' HB2' ' A' ' 52' ' ' ALA . 22.1 tp -43.44 -46.63 6.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.566 ' O ' HD21 ' A' ' 87' ' ' LEU . 3.3 p -43.98 -49.73 8.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.015 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 1.7 mm-40 -65.36 -32.39 74.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.786 ' HG3' HD12 ' A' ' 51' ' ' LEU . 3.7 mmtt -64.49 -43.36 94.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.746 HG21 HD21 ' A' ' 84' ' ' LEU . 4.8 mt -71.06 -45.69 70.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.477 ' HD2' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -59.5 -38.57 81.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 1.2 mm-40 -66.05 -41.34 90.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.716 ' CE1' HG21 ' A' ' 45' ' ' VAL . 81.6 t80 -55.45 -34.6 64.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.754 HD21 ' CZ ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -62.41 -51.05 69.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -65.8 -17.89 64.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -80.32 -49.61 11.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.604 ' HB2' ' SD ' ' A' ' 34' ' ' MET . 61.0 mmtt -83.55 -23.63 31.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' LEU . 4.5 mttt 60.12 66.49 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.626 ' SD ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -112.3 176.2 5.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -122.52 -6.6 8.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.317 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.421 ' HB2' HD11 ' A' ' 103' ' ' LEU . 6.2 p -168.56 146.51 4.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.754 ' CZ ' HD21 ' A' ' 29' ' ' LEU . 53.5 p90 -171.26 -177.18 2.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 1.028 ' CZ ' HD23 ' A' ' 103' ' ' LEU . 98.4 m-85 -125.41 150.13 47.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.415 1.072 . . . . 0.0 111.048 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.704 ' HA ' HD23 ' A' ' 42' ' ' LEU . 41.3 tt0 -53.94 -19.02 3.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.461 ' O ' HG23 ' A' ' 44' ' ' THR . 5.4 pt20 -79.09 -14.73 58.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.401 ' C ' HD22 ' A' ' 42' ' ' LEU . 18.0 mm-40 -82.92 -12.22 57.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 110.251 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.858 ' N ' HD22 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -106.56 -21.98 12.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.432 ' O ' ' CD ' ' A' ' 49' ' ' GLN . 1.7 mm-40 -66.88 -21.25 66.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 40' ' ' GLN . 44.5 p -85.42 -18.27 34.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.423 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.864 ' HB ' HD12 ' A' ' 48' ' ' LEU . 23.7 t -74.9 116.12 17.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 48' ' ' LEU . 1.0 OUTLIER -57.81 -64.56 0.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 46' ' ' GLU . 5.5 m -38.78 -29.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.864 HD12 ' HB ' ' A' ' 45' ' ' VAL . 92.9 mt -81.52 -60.09 2.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.552 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.7 OUTLIER -47.13 -45.57 22.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.312 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.05 -20.96 2.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.796 HD13 ' HA ' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -98.45 -54.65 2.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.841 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -67.02 -4.81 10.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.552 ' N ' ' O ' ' A' ' 49' ' ' GLN . 22.9 t -108.16 -14.65 14.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 2.7 mtt180 -47.03 155.75 0.61 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.662 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.99 168.69 24.28 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.925 HG11 HD23 ' A' ' 17' ' ' LEU . 1.3 p . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.514 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.457 ' HA ' ' CD ' ' A' ' 78' ' ' ARG . 61.4 t -44.67 -40.52 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.535 0.785 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.48 -42.41 98.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.514 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 8.2 mt-30 -53.22 -21.85 5.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.457 ' CD ' ' HA ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -86.25 -32.48 21.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.325 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 1.08 HG22 HD21 ' A' ' 14' ' ' LEU . 4.8 t -77.46 -37.77 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.501 ' CE2' ' HB3' ' A' ' 52' ' ' ALA . 5.5 m-85 -69.33 -48.39 61.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.42 -37.42 85.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.67 ' O ' HD12 ' A' ' 86' ' ' LEU . 98.1 m-20 -77.14 -26.34 53.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.492 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -71.03 -54.49 11.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.889 HD23 HD12 ' A' ' 87' ' ' LEU . 21.7 mt -55.98 -46.38 78.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.53 -57.49 1.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.67 HD12 ' O ' ' A' ' 82' ' ' ASN . 1.0 OUTLIER -52.8 -47.96 67.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.889 HD12 HD23 ' A' ' 84' ' ' LEU . 56.3 mt -48.63 -42.87 35.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.79 ' OE1' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -66.07 -26.23 67.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 86' ' ' LEU . 1.9 mm-40 -79.58 -26.21 41.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.245 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.4 -28.68 20.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 101.38 24.02 9.16 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.502 1.126 . . . . 0.0 111.052 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.488 HD13 HD22 ' A' ' 87' ' ' LEU . 4.9 mt -83.91 -41.76 17.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.79 HG23 ' OE1' ' A' ' 88' ' ' GLN . 1.0 OUTLIER -137.35 172.97 13.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.654 ' CE1' ' CB ' ' A' ' 105' ' ' TYR . 26.7 p90 -163.88 152.65 13.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.407 ' OE1' ' CE1' ' A' ' 104' ' ' TYR . 9.2 mt-30 -105.97 119.65 39.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.556 ' HG3' ' CE1' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -74.78 -51.82 13.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -89.79 127.5 35.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.66 148.16 20.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.988 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.454 ' CA ' ' HG3' ' A' ' 102' ' ' LYS . . . 126.43 151.96 7.97 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.3 t -68.09 -65.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 0.735 . . . . 0.0 109.993 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -76.58 61.71 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.454 ' HG3' ' CA ' ' A' ' 99' ' ' GLY . 17.9 mmtt -113.77 -179.23 3.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 1.028 HD23 ' CZ ' ' A' ' 38' ' ' TYR . 1.3 tm? -74.02 134.94 43.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.897 ' N ' HD13 ' A' ' 103' ' ' LEU . 63.9 m-85 -109.54 92.11 3.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 1.014 ' CD1' HD12 ' A' ' 103' ' ' LEU . 38.5 m-85 -71.08 142.05 50.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 111.008 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -101.55 155.81 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 11.8 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 12' ' ' LEU . 7.7 mt . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.439 ' C ' HG21 ' A' ' 56' ' ' VAL . 17.5 t70 -171.09 159.39 5.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 1.022 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -40.05 -43.38 1.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.2 -49.55 23.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.6 -58.54 11.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.135 . . . . 0.0 111.025 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.021 HD23 HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -60.26 -33.74 72.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 0.77 . . . . 0.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.991 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.2 m -63.73 -51.13 66.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.372 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 18' ' ' THR . 30.9 t -36.96 -37.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.026 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.737 ' HG ' HD11 ' A' ' 51' ' ' LEU . 3.1 tp -73.9 -55.47 6.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.858 HD23 HG12 ' A' ' 79' ' ' VAL . 7.2 tp -40.32 -49.02 2.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.701 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 1.3 p -37.72 -61.89 0.59 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.015 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.497 ' HB3' ' HZ3' ' A' ' 26' ' ' LYS . 4.7 mt-10 -55.89 -42.4 75.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 110.34 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.772 ' HG3' HD12 ' A' ' 51' ' ' LEU . 36.7 mmtt -53.39 -41.49 65.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.602 HG23 ' CD1' ' A' ' 42' ' ' LEU . 3.4 mt -73.05 -57.02 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.497 ' HZ3' ' HB3' ' A' ' 23' ' ' GLU . 0.6 OUTLIER -50.83 -36.14 35.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 23' ' ' GLU . 3.2 mm-40 -70.31 -39.89 74.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.435 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 53.4 t80 -57.42 -25.92 60.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.862 HD13 HG13 ' A' ' 106' ' ' VAL . 8.5 mt -75.34 -47.81 25.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -64.74 -11.19 33.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -94.22 -48.39 6.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.354 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.438 ' HB2' ' CG ' ' A' ' 34' ' ' MET . 62.3 mmtt -81.95 -13.36 57.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' LEU . 14.0 mmtt 52.5 62.67 2.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.438 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -114.71 171.67 7.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 110.988 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -131.45 9.87 4.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.7 p -167.4 143.2 4.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.985 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.708 ' CE1' HD11 ' A' ' 42' ' ' LEU . 14.1 p90 -177.63 161.79 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 1.045 ' CE2' HD23 ' A' ' 103' ' ' LEU . 58.5 m-85 -111.46 157.71 19.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.505 ' OE1' ' CB ' ' A' ' 81' ' ' LYS . 28.6 tt0 -61.0 -29.22 69.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.612 ' O ' HG23 ' A' ' 44' ' ' THR . 5.5 pt20 -70.76 -31.89 68.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.3 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 45' ' ' VAL . 4.6 mm-40 -68.34 -17.81 64.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.708 HD11 ' CE1' ' A' ' 37' ' ' PHE . 10.4 mt -101.87 -20.82 14.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.48 ' OE2' ' CD2' ' A' ' 80' ' ' PHE . 5.3 mm-40 -67.59 -24.35 65.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 40' ' ' GLN . 7.6 p -96.62 6.93 47.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.432 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.664 HG11 ' CD2' ' A' ' 48' ' ' LEU . 85.8 t -92.48 127.96 44.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 47' ' ' SER . 13.6 mm-40 -62.84 -63.0 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -35.05 -52.88 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.664 ' CD2' HG11 ' A' ' 45' ' ' VAL . 1.6 mm? -64.7 -66.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.58 ' O ' ' N ' ' A' ' 53' ' ' SER . 3.3 mm-40 -39.77 -53.02 2.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 110.35 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.96 -27.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.772 HD12 ' HG3' ' A' ' 24' ' ' LYS . 2.1 tt -98.91 -60.53 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.842 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -54.23 -14.38 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.58 ' N ' ' O ' ' A' ' 49' ' ' GLN . 24.4 p -91.39 -17.6 25.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.04 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.515 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.5 OUTLIER -47.23 152.46 1.07 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.671 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.03 168.46 24.78 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 1.021 HG11 HD23 ' A' ' 17' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 109.279 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.521 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.545 HG13 ' N ' ' A' ' 76' ' ' ALA . 9.1 p -38.52 -55.12 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 109.314 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.545 ' N ' HG13 ' A' ' 75' ' ' VAL . . . -53.8 -45.19 70.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.521 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 7.2 mt-30 -52.45 -26.31 12.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.477 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -82.82 -31.31 28.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.277 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.991 HG13 ' OG1' ' A' ' 18' ' ' THR . 16.0 t -82.42 -36.93 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.612 ' CE1' ' HB3' ' A' ' 48' ' ' LEU . 6.3 m-85 -66.01 -50.2 65.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.505 ' CB ' ' OE1' ' A' ' 39' ' ' GLN . 0.1 OUTLIER -63.68 -42.84 97.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.836 ' HB3' HG21 ' A' ' 18' ' ' THR . 3.3 m120 -62.21 -46.74 87.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.701 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -52.82 -43.98 66.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.496 ' CD1' ' HB2' ' A' ' 39' ' ' GLN . 25.5 mt -59.67 -38.48 81.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.72 -57.29 12.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 110.268 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.425 HD11 HG22 ' A' ' 18' ' ' THR . 1.0 OUTLIER -55.04 -42.33 72.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.493 HD21 ' C ' ' A' ' 22' ' ' SER . 6.0 mt -51.52 -48.47 62.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.435 ' HG2' HG23 ' A' ' 93' ' ' VAL . 5.2 mt-30 -59.17 -27.12 65.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -82.91 -27.31 30.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.888 ' HB2' HD23 ' A' ' 92' ' ' LEU . 5.3 mttm -87.64 -3.38 58.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.23 13.13 81.34 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.888 HD23 ' HB2' ' A' ' 90' ' ' LYS . 4.3 mm? -67.56 -54.46 19.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 0.79 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.491 HG12 ' HA ' ' A' ' 106' ' ' VAL . 5.3 m -128.72 180.0 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 105' ' ' TYR . 10.7 p90 -162.36 142.94 10.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.147 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.403 ' NE2' ' O ' ' A' ' 99' ' ' GLY . 81.3 mt-30 -101.2 136.7 40.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -96.3 -62.12 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.462 ' CB ' ' HE3' ' A' ' 102' ' ' LYS . 33.4 m-20 -73.73 -18.56 60.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.3 m 61.97 135.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.403 ' O ' ' NE2' ' A' ' 95' ' ' GLN . . . 148.36 152.77 5.78 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.461 1.1 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.4 m -87.92 46.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 110.032 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -178.44 42.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.462 ' HE3' ' CB ' ' A' ' 97' ' ' ASP . 9.3 mmmt -130.13 158.01 40.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 1.045 HD23 ' CE2' ' A' ' 38' ' ' TYR . 1.7 tm? -60.8 133.75 56.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.855 ' N ' HD13 ' A' ' 103' ' ' LEU . 68.7 m-85 -94.6 112.23 23.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.877 ' CD1' HD12 ' A' ' 103' ' ' LEU . 19.8 m-30 -85.91 129.85 34.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.862 HG13 HD13 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -80.89 164.7 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 92' ' ' LEU . 5.0 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.388 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.554 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 12.6 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.567 ' C ' HG21 ' A' ' 56' ' ' VAL . 3.8 m-20 86.33 157.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.665 ' CD2' HG22 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -37.33 -35.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.454 ' O ' ' HB ' ' A' ' 18' ' ' THR . . . -77.84 -53.26 7.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -57.7 -55.96 27.71 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.917 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -56.99 -30.03 63.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.642 HG21 ' HB3' ' A' ' 82' ' ' ASN . 0.9 OUTLIER -66.01 -59.62 3.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.431 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.0 t -43.14 -29.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.99 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.457 HD12 HD11 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -77.94 -53.43 7.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.811 HD23 HG12 ' A' ' 79' ' ' VAL . 11.8 tp -44.08 -45.18 7.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.666 ' HB2' HD13 ' A' ' 87' ' ' LEU . 10.8 p -43.7 -51.86 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 3.1 mt-10 -63.32 -28.46 70.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.898 ' HG3' HD22 ' A' ' 51' ' ' LEU . 23.9 mmtt -71.3 -38.63 71.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.793 HG23 HD13 ' A' ' 42' ' ' LEU . 4.1 mt -76.18 -44.59 36.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.531 ' HB2' HD22 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -56.99 -40.09 75.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.331 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.512 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 3.4 mm-40 -64.41 -40.44 95.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.6 ' CE2' ' HG3' ' A' ' 32' ' ' LYS . 56.3 t80 -59.36 -34.8 72.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.805 HD21 ' CE2' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -61.11 -47.57 85.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -72.72 -15.72 61.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -83.63 -40.5 18.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.6 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 14.6 mmtp -93.54 -23.05 18.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' LEU . 62.1 mmtt 58.45 67.25 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.569 ' SD ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -109.93 175.98 5.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.943 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -126.38 -1.51 6.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.7 p -169.47 142.23 2.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.805 ' CE2' HD21 ' A' ' 29' ' ' LEU . 27.8 p90 -169.78 163.41 9.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.945 ' CE2' HD23 ' A' ' 103' ' ' LEU . 42.5 m-85 -111.13 156.0 22.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.523 ' OE1' ' CB ' ' A' ' 81' ' ' LYS . 12.9 tt0 -54.34 -32.55 57.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.417 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 5.3 pt20 -71.66 -41.59 68.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.417 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 3.1 mm-40 -55.65 -18.41 7.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.793 HD13 HG23 ' A' ' 25' ' ' ILE . 10.4 mt -99.9 -20.94 15.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.431 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 1.0 OUTLIER -68.28 -9.01 44.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 40' ' ' GLN . 13.5 p -94.95 -9.35 34.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.396 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.418 HG11 ' CD1' ' A' ' 28' ' ' PHE . 23.6 t -80.72 100.62 5.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -47.69 -58.96 3.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 110.336 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.8 m -40.5 -42.31 1.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.508 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 85.1 mt -73.25 -56.13 5.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.0 mt-30 -46.19 -42.48 14.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.59 -24.46 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.898 HD22 ' HG3' ' A' ' 24' ' ' LYS . 4.0 tp -99.1 -47.19 5.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.525 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -68.58 -3.01 10.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' GLN . 30.0 t -109.41 -12.56 14.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 0.0 110.033 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -41.03 152.98 0.24 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.355 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.523 ' O ' ' C ' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.02 -29.98 7.62 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.496 1.787 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.907 HG11 HD23 ' A' ' 17' ' ' LEU . 1.2 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.482 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.449 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 58.2 t -43.9 -45.09 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 0.787 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.442 ' HA ' ' O ' ' A' ' 52' ' ' ALA . . . -60.0 -40.94 90.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.352 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.482 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 1.0 OUTLIER -57.83 -23.2 51.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 0.1 OUTLIER -83.58 -31.08 26.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.811 HG12 HD23 ' A' ' 21' ' ' LEU . 21.9 t -80.36 -39.71 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.489 ' HB3' ' CG ' ' A' ' 39' ' ' GLN . 2.1 m-85 -66.96 -59.03 3.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.523 ' CB ' ' OE1' ' A' ' 39' ' ' GLN . 2.4 ptpt -48.79 -37.98 20.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.378 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.642 ' HB3' HG21 ' A' ' 18' ' ' THR . 92.6 m-20 -65.88 -52.19 52.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.63 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -41.05 -64.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.658 HD11 ' HE1' ' A' ' 37' ' ' PHE . 3.8 mm? -38.25 -49.16 1.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.47 -49.13 56.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.484 ' N ' HD22 ' A' ' 86' ' ' LEU . 3.0 mm? -58.18 -55.4 35.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.666 HD13 ' HB2' ' A' ' 22' ' ' SER . 0.2 OUTLIER -44.22 -56.79 3.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.153 . . . . 0.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.492 ' HG2' ' CG2' ' A' ' 93' ' ' VAL . 0.2 OUTLIER -54.87 -30.17 57.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 110.277 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 86' ' ' LEU . 65.4 mm-40 -77.7 -25.54 49.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.22 -29.04 16.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 107' ' ' THR . . . 103.79 22.04 9.22 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.593 HD13 HD12 ' A' ' 87' ' ' LEU . 3.7 mt -83.33 -37.59 23.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.492 ' CG2' ' HG2' ' A' ' 88' ' ' GLN . 3.8 m -139.76 175.28 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 105' ' ' TYR . 25.9 p90 -164.45 151.5 11.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.971 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.614 ' CD ' ' CE1' ' A' ' 104' ' ' TYR . 58.8 mt-30 -114.72 127.13 55.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.571 ' HG3' ' CE2' ' A' ' 105' ' ' TYR . 0.5 OUTLIER -91.67 48.63 1.48 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 98' ' ' SER . 0.6 OUTLIER 173.32 89.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 97' ' ' ASP . 1.0 OUTLIER -37.83 106.61 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.973 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -175.47 168.46 40.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.26 -56.97 3.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -86.92 68.84 10.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -128.11 159.69 34.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.945 HD23 ' CE2' ' A' ' 38' ' ' TYR . 1.7 tm? -69.76 131.12 44.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.822 ' N ' HD13 ' A' ' 103' ' ' LEU . 53.0 m-85 -97.93 111.68 23.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.905 ' CE1' HD12 ' A' ' 103' ' ' LEU . 33.1 m-85 -88.18 144.02 26.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.486 HG13 HD23 ' A' ' 29' ' ' LEU . 1.3 t -76.15 162.11 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 92' ' ' LEU . 13.5 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.375 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.499 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 22.5 t70 174.24 154.69 0.12 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.578 HD23 HG22 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -40.59 -29.73 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.45 ' N ' ' C ' ' A' ' 13' ' ' ASP . . . -91.47 -41.03 11.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -64.43 -51.11 55.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.054 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -69.05 -23.8 64.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.681 HG21 ' HB3' ' A' ' 82' ' ' ASN . 0.9 OUTLIER -66.03 -60.87 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 110.362 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 18' ' ' THR . 24.6 t -37.76 -36.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.965 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.917 HD13 HD11 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -68.99 -55.73 9.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.872 ' CD2' ' HB2' ' A' ' 52' ' ' ALA . 16.4 tp -45.36 -50.14 12.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.697 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 4.9 p -41.54 -50.87 4.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.986 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 7.0 mt-10 -62.5 -33.68 75.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.915 ' HG3' HD12 ' A' ' 51' ' ' LEU . 2.2 mmpt? -66.12 -44.42 84.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.826 HG23 HD13 ' A' ' 42' ' ' LEU . 7.3 mt -72.33 -53.88 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.38 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.522 ' HD2' ' CD1' ' A' ' 92' ' ' LEU . 1.5 pttm -47.41 -37.4 11.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 23' ' ' GLU . 2.5 mm-40 -68.81 -43.0 76.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.461 ' CE1' ' HE3' ' A' ' 32' ' ' LYS . 62.1 t80 -56.96 -21.03 27.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 111.04 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.588 HD22 ' CE2' ' A' ' 37' ' ' PHE . 11.6 mt -81.22 -48.24 12.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -65.22 -10.47 31.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -94.54 -50.4 5.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.461 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 16.7 mmtp -82.34 -18.16 43.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.51 ' N ' ' O ' ' A' ' 29' ' ' LEU . 1.2 mttt 50.28 67.44 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.538 ' SD ' ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -102.1 170.96 7.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 0.0 110.98 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -120.56 -7.3 9.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.37 143.14 2.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.98 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.588 ' CE2' HD22 ' A' ' 29' ' ' LEU . 8.5 p90 -169.26 171.96 7.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.882 ' CE2' HD23 ' A' ' 103' ' ' LEU . 37.4 m-85 -115.68 151.29 35.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.482 ' HB2' ' CE2' ' A' ' 104' ' ' TYR . 2.3 tt0 -57.2 -34.65 68.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.278 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.464 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 5.6 pt20 -67.17 -44.04 80.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.464 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 4.9 mm-40 -52.66 -21.73 4.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.826 HD13 HG23 ' A' ' 25' ' ' ILE . 12.4 mt -94.8 -23.0 17.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.533 ' OE2' ' CD2' ' A' ' 80' ' ' PHE . 1.5 mm-40 -65.19 -11.88 45.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.4 p -93.32 -9.57 38.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.399 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.1 t -83.84 119.48 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 47' ' ' SER . 0.1 OUTLIER -60.12 -60.12 4.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 110.293 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' GLU . 64.7 m -38.36 -36.82 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.979 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.48 HD13 HG12 ' A' ' 25' ' ' ILE . 44.3 mt -79.83 -60.65 2.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.558 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.3 OUTLIER -45.84 -47.3 15.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.258 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.65 -22.09 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.917 HD11 HD13 ' A' ' 20' ' ' LEU . 1.2 tt -98.73 -57.83 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.308 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.872 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -61.23 -11.51 9.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.558 ' N ' ' O ' ' A' ' 49' ' ' GLN . 55.6 m -95.62 -21.43 18.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.521 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 3.4 mtt180 -44.56 154.79 0.4 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.673 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.02 170.33 20.66 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.944 HG11 HD23 ' A' ' 17' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.508 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.548 HG13 ' N ' ' A' ' 76' ' ' ALA . 11.7 p -43.37 -53.65 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.548 ' N ' HG13 ' A' ' 75' ' ' VAL . . . -58.37 -36.64 73.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.508 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 8.8 mt-30 -60.84 -19.22 59.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.503 ' HB3' HD11 ' A' ' 14' ' ' LEU . 3.5 mpt_? -88.91 -34.27 17.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.733 HG12 HD23 ' A' ' 21' ' ' LEU . 22.1 t -76.8 -37.61 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.533 ' CD2' ' OE2' ' A' ' 43' ' ' GLU . 1.7 m-85 -66.06 -60.61 2.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.96 -37.47 44.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.681 ' HB3' HG21 ' A' ' 18' ' ' THR . 90.0 m-20 -65.26 -51.73 58.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.697 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -41.33 -64.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.588 ' HB3' ' CE1' ' A' ' 104' ' ' TYR . 3.9 mm? -38.15 -50.4 1.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.455 ' HA ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -48.28 -52.3 21.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.491 ' N ' HD22 ' A' ' 86' ' ' LEU . 3.0 mm? -55.93 -57.47 11.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.614 HD13 ' HB2' ' A' ' 22' ' ' SER . 0.2 OUTLIER -43.21 -58.81 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.53 ' HG2' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -51.02 -40.98 59.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 86' ' ' LEU . 2.1 mt-10 -63.16 -25.3 68.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.471 ' HB2' HD12 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -92.48 -30.23 15.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.411 ' O ' ' CB ' ' A' ' 107' ' ' THR . . . 105.23 21.33 8.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.522 ' CD1' ' HD2' ' A' ' 26' ' ' LYS . 2.4 mt -80.51 -41.85 23.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.53 HG23 ' HG2' ' A' ' 88' ' ' GLN . 5.6 m -136.41 172.98 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.57 ' CD1' ' HB2' ' A' ' 105' ' ' TYR . 32.7 p90 -163.61 150.52 12.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.576 ' CD ' ' CE1' ' A' ' 104' ' ' TYR . 69.2 mt-30 -120.85 121.23 37.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -75.61 -50.02 16.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.24 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -84.28 107.68 16.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.87 114.02 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 170.81 130.08 1.18 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.2 t -52.88 -48.48 67.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 0.737 . . . . 0.0 110.035 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -88.35 61.08 6.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -123.96 166.9 14.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.978 HD12 ' CE1' ' A' ' 105' ' ' TYR . 1.6 tm? -78.22 131.63 37.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.85 ' N ' HD13 ' A' ' 103' ' ' LEU . 59.7 m-85 -94.52 120.42 34.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.978 ' CE1' HD12 ' A' ' 103' ' ' LEU . 19.8 m-85 -93.51 139.19 31.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.586 HG13 HD13 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -83.24 164.18 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 92' ' ' LEU . 2.7 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 110.417 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 12' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.593 ' HA ' HG12 ' A' ' 56' ' ' VAL . 4.9 m-20 -178.14 161.68 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 1.014 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -41.78 -34.58 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.61 -33.42 13.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -65.5 -46.34 85.65 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.701 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -72.68 -42.95 63.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 0.751 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.921 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.3 m -50.02 -51.22 43.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 t -39.99 -38.5 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.941 ' HG ' HD11 ' A' ' 51' ' ' LEU . 1.4 tp -70.65 -56.52 6.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.085 ' CD1' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -40.17 -50.44 2.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 21' ' ' LEU . 43.9 p -33.61 -58.53 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.05 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 5.4 mm-40 -59.8 -39.02 83.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.979 ' HG3' HD12 ' A' ' 51' ' ' LEU . 3.8 mmpt? -61.8 -48.78 79.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.085 HD11 ' CD1' ' A' ' 21' ' ' LEU . 5.3 mt -68.86 -40.95 81.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.348 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.514 ' HA ' HD22 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -64.97 -40.42 94.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 23' ' ' GLU . 1.4 mm-40 -61.2 -38.67 87.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 110.329 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.716 ' CE1' HG21 ' A' ' 45' ' ' VAL . 89.0 t80 -57.7 -37.75 74.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.665 HD11 ' CE2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -59.8 -48.62 80.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -70.42 -16.55 62.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.286 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.77 -40.68 22.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.581 ' HB2' ' SD ' ' A' ' 34' ' ' MET . 13.3 mmtp -94.54 -23.5 17.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' A' ' 29' ' ' LEU . 5.8 mttt 59.23 67.55 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.615 ' SD ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -112.38 173.86 6.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 111.038 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -120.97 -5.49 9.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.454 ' CB ' HD11 ' A' ' 103' ' ' LEU . 0.2 OUTLIER -168.82 138.53 2.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.665 ' CE2' HD11 ' A' ' 29' ' ' LEU . 33.1 p90 -162.19 -174.75 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 1.0 ' CE2' HD23 ' A' ' 103' ' ' LEU . 97.5 m-85 -127.79 149.45 50.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.697 ' HA ' HD23 ' A' ' 42' ' ' LEU . 41.0 tt0 -54.5 -18.82 4.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.488 ' O ' HG23 ' A' ' 44' ' ' THR . 7.2 pt20 -80.57 -13.72 58.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.31 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -82.41 -12.28 58.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.848 ' N ' HD22 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -105.02 -21.73 13.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.483 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 1.2 mt-10 -68.87 -17.97 64.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 40' ' ' GLN . 44.9 p -88.76 -16.65 31.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 110.409 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.716 HG21 ' CE1' ' A' ' 28' ' ' PHE . 21.7 t -80.63 113.3 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' LEU . 1.5 mt-10 -54.44 -62.99 1.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.1 m -39.09 -31.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.011 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.664 HD12 ' HB ' ' A' ' 45' ' ' VAL . 81.1 mt -82.98 -61.02 1.97 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -46.5 -47.05 19.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.96 -20.93 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.979 HD12 ' HG3' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -98.69 -54.72 2.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.775 ' HB2' HD11 ' A' ' 21' ' ' LEU . . . -65.82 -6.09 10.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 49' ' ' GLN . 49.9 m -104.84 -21.64 13.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 2.3 mtt180 -40.11 156.5 0.17 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.478 ' C ' ' CG2' ' A' ' 56' ' ' VAL . 18.3 Cg_endo -75.01 165.55 31.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.791 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.735 HG11 ' N ' ' A' ' 14' ' ' LEU . 1.5 t . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.569 HG13 ' N ' ' A' ' 76' ' ' ALA . 14.7 p -56.61 -55.68 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.569 ' N ' HG13 ' A' ' 75' ' ' VAL . . . -60.53 -34.85 74.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -57.9 -19.73 31.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.412 ' HA ' ' CD ' ' A' ' 81' ' ' LYS . 67.1 mtt180 -89.78 -35.96 15.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.921 HG13 ' OG1' ' A' ' 18' ' ' THR . 7.1 t -72.88 -41.01 60.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.548 ' CE2' ' HB3' ' A' ' 52' ' ' ALA . 2.2 m-85 -65.89 -37.26 85.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 111.034 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.51 ' CB ' ' OE1' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -78.57 -39.57 37.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.612 ' O ' HD12 ' A' ' 86' ' ' LEU . 14.6 m120 -74.27 -27.25 60.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.527 ' HB3' ' CD1' ' A' ' 25' ' ' ILE . . . -71.17 -33.84 70.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.755 HD23 HD12 ' A' ' 87' ' ' LEU . 16.5 mt -72.32 -43.38 64.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.02 -52.7 5.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.336 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.612 HD12 ' O ' ' A' ' 82' ' ' ASN . 1.2 mp -55.27 -46.48 76.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.755 HD12 HD23 ' A' ' 84' ' ' LEU . 86.8 mt -49.76 -40.04 39.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.935 ' OE1' HG23 ' A' ' 93' ' ' VAL . 0.1 OUTLIER -66.86 -28.73 68.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.263 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -75.39 -28.7 59.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.664 ' HB2' HD12 ' A' ' 92' ' ' LEU . 3.8 mttt -85.05 -30.64 23.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.82 18.25 12.94 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.669 HD13 HD22 ' A' ' 87' ' ' LEU . 1.4 mt -76.91 -45.88 26.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 0.739 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.935 HG23 ' OE1' ' A' ' 88' ' ' GLN . 1.3 m -133.08 176.19 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.59 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 11.5 p90 -162.94 153.15 16.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.528 ' NE2' ' CE2' ' A' ' 104' ' ' TYR . 15.6 mm-40 -117.25 140.79 49.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -103.53 -67.49 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.243 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.461 ' O ' ' O ' ' A' ' 98' ' ' SER . 0.3 OUTLIER -85.93 76.21 9.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.461 ' O ' ' O ' ' A' ' 97' ' ' ASP . 30.7 m 35.6 92.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.489 ' HA3' ' CG ' ' A' ' 95' ' ' GLN . . . -61.45 -134.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.556 ' O ' ' CB ' ' A' ' 101' ' ' ASP . 20.9 t 70.16 23.46 5.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 109.982 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 100' ' ' SER . 1.0 OUTLIER 152.33 -23.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.471 ' HB3' ' HA2' ' A' ' 99' ' ' GLY . 4.9 tppt? -78.52 152.34 32.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 1.0 HD23 ' CE2' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -37.11 122.91 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.759 ' N ' HD13 ' A' ' 103' ' ' LEU . 51.2 m-85 -94.93 112.14 23.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.805 ' CD1' HD12 ' A' ' 103' ' ' LEU . 20.6 m-30 -78.24 128.42 33.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -105.52 153.52 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.408 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 12' ' ' LEU . 11.7 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.7 ' HA ' HG12 ' A' ' 56' ' ' VAL . 17.6 t70 -156.16 156.49 34.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.832 ' N ' HG11 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -42.71 -36.3 1.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.38 -46.78 19.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.06 -54.48 37.08 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.86 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -58.52 -42.17 87.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.707 HG21 ' HB3' ' A' ' 82' ' ' ASN . 1.2 m -56.31 -58.93 5.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.391 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 18' ' ' THR . 7.4 t -36.89 -38.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.029 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 21' ' ' LEU . 1.9 tp -70.13 -57.98 4.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.829 HD13 HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -37.71 -55.04 1.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.693 ' HB2' HD13 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -37.6 -54.85 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.006 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.503 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . 6.0 mt-10 -62.37 -35.36 78.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.346 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.535 ' N ' ' O ' ' A' ' 21' ' ' LEU . 23.6 mmtt -66.77 -53.17 35.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.897 HG23 ' CD1' ' A' ' 42' ' ' LEU . 13.1 mt -59.64 -47.79 89.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.503 ' CE ' ' HA ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -55.84 -39.88 72.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.502 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 3.3 mm-40 -60.49 -40.61 91.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.739 ' CE1' HG21 ' A' ' 45' ' ' VAL . 58.6 t80 -58.53 -38.81 78.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.802 HD11 ' CE2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -56.87 -49.27 76.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -73.09 -15.46 61.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.32 -38.23 22.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.594 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 12.7 mmtp -96.02 -23.68 16.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' LEU . 3.9 mptt 59.07 67.0 0.96 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.591 ' SD ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -109.56 176.23 5.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -122.27 -6.6 8.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.294 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.552 ' HB2' HD11 ' A' ' 103' ' ' LEU . 2.4 p -168.51 148.37 4.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.983 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.802 ' CE2' HD11 ' A' ' 29' ' ' LEU . 31.1 p90 -174.31 171.69 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 1.079 ' CE2' HD23 ' A' ' 103' ' ' LEU . 51.9 m-85 -116.32 148.31 40.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.521 ' CG ' ' HB3' ' A' ' 80' ' ' PHE . 2.9 tt0 -50.13 -35.48 26.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -68.98 -40.36 78.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.42 ' CG ' ' HB2' ' A' ' 38' ' ' TYR . 4.5 mm-40 -56.04 -18.15 8.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.25 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.897 ' CD1' HG23 ' A' ' 25' ' ' ILE . 13.6 mt -100.29 -21.52 15.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.487 ' HA ' ' CZ ' ' A' ' 80' ' ' PHE . 0.9 OUTLIER -64.03 -12.2 36.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.3 p -94.28 -6.78 43.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.365 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.739 HG21 ' CE1' ' A' ' 28' ' ' PHE . 54.8 t -85.12 104.82 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.22 -52.97 57.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.7 m -46.41 -26.77 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 14.2 mt -93.75 -60.26 1.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.488 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -42.37 -44.55 3.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.278 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.03 -25.7 0.23 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.51 ' CD2' ' HA ' ' A' ' 21' ' ' LEU . 2.6 tp -97.95 -47.23 5.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.519 ' CB ' ' CE2' ' A' ' 80' ' ' PHE . . . -65.35 -6.71 10.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 49' ' ' GLN . 26.5 t -113.59 -12.71 12.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -51.7 158.46 1.57 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.454 ' C ' ' CG2' ' A' ' 56' ' ' VAL . 18.4 Cg_endo -75.0 169.35 22.82 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.832 HG11 ' N ' ' A' ' 14' ' ' LEU . 1.8 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 77' ' ' GLN . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.441 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 48.3 t -43.45 -44.24 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.533 0.784 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.425 ' HA ' ' O ' ' A' ' 52' ' ' ALA . . . -62.51 -40.9 98.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 74' ' ' GLY . 7.5 mt-30 -56.04 -18.04 8.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.471 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -90.39 -33.8 15.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.634 HG12 HD12 ' A' ' 21' ' ' LEU . 24.7 t -78.01 -39.83 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.521 ' HB3' ' CG ' ' A' ' 39' ' ' GLN . 1.7 m-85 -68.69 -57.51 5.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.58 -36.76 56.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.707 ' HB3' HG21 ' A' ' 18' ' ' THR . 75.7 m-20 -67.21 -49.57 64.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.663 ' CB ' HD12 ' A' ' 25' ' ' ILE . . . -44.49 -63.16 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.479 ' HG ' ' CE2' ' A' ' 104' ' ' TYR . 3.8 mm? -42.09 -51.65 4.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.435 ' HA ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -45.27 -56.26 5.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.354 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.573 HD11 HG22 ' A' ' 18' ' ' THR . 1.1 mt -54.75 -54.52 40.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.093 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.693 HD13 ' HB2' ' A' ' 22' ' ' SER . 0.0 OUTLIER -42.48 -57.89 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.496 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 0.3 OUTLIER -53.6 -33.11 53.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.325 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 86' ' ' LEU . 2.9 mm-40 -72.78 -30.06 63.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.54 -28.1 22.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 107' ' ' THR . . . 103.14 21.44 10.06 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.526 ' HA ' HG21 ' A' ' 107' ' ' THR . 7.4 mt -80.25 -39.26 29.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 88' ' ' GLN . 3.3 m -140.12 176.84 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.239 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.692 ' CE1' ' CB ' ' A' ' 105' ' ' TYR . 27.3 p90 -164.76 147.92 8.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.102 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' A' ' 99' ' ' GLY . 76.5 mt-30 -90.54 140.96 29.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.496 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 1.0 OUTLIER -114.18 65.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.243 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 3.2 m-20 156.79 -24.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 73.3 132.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.042 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.482 ' O ' ' NE2' ' A' ' 95' ' ' GLN . . . 155.13 133.11 1.67 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.12 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 m -45.13 -53.88 7.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 110.009 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -106.45 74.97 1.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.1 mmtm -126.74 177.35 6.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 1.079 HD23 ' CE2' ' A' ' 38' ' ' TYR . 2.0 tm? -76.48 138.79 40.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.919 ' N ' HD13 ' A' ' 103' ' ' LEU . 28.1 m-85 -109.31 126.98 53.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.991 ' CE1' HD12 ' A' ' 103' ' ' LEU . 6.0 m-85 -100.43 140.47 34.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.445 HG13 HD23 ' A' ' 29' ' ' LEU . 1.3 t -76.59 160.01 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.526 HG21 ' HA ' ' A' ' 92' ' ' LEU . 14.8 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.374 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.51 170.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 110.014 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.4 p -118.84 119.1 33.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.96 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.45 170.04 19.0 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.75 -59.64 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 109.975 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.14 106.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.055 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.09 -174.88 53.82 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -160.06 -58.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 109.344 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -151.01 77.61 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -156.81 109.98 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 56.5 m-20 -86.54 61.86 7.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 12' ' ' LEU . 10.6 mt 51.76 177.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.595 ' HA ' HG12 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -164.03 154.87 15.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.83 ' N ' HG11 ' A' ' 56' ' ' VAL . 0.8 OUTLIER -40.85 -40.71 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.21 -46.33 20.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.09 -52.18 50.91 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.849 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -66.21 -39.15 89.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.302 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.97 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.5 m -57.97 -57.43 12.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.416 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.505 ' HA ' HD13 ' A' ' 86' ' ' LEU . 1.8 t -37.83 -38.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.967 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.7 tp -71.08 -54.68 10.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.817 HD23 HG12 ' A' ' 79' ' ' VAL . 11.5 tp -41.56 -43.68 2.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.502 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 0.5 OUTLIER -46.54 -56.7 5.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.22 -32.23 72.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.934 ' HG3' HD22 ' A' ' 51' ' ' LEU . 24.0 mmtt -62.4 -33.25 74.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 109.277 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.743 HG23 ' CD1' ' A' ' 42' ' ' LEU . 1.8 mp -78.21 -49.46 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.521 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -53.17 -38.59 62.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.521 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 2.0 mm-40 -68.14 -40.75 82.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 110.347 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.755 ' CE1' HG21 ' A' ' 45' ' ' VAL . 67.4 t80 -56.56 -39.55 73.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 111.02 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.615 HD21 ' CE1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -59.63 -48.8 80.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -66.72 -13.98 62.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -89.19 -43.76 10.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.267 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.588 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 56.0 mmtt -84.21 -14.43 50.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt 57.84 63.82 1.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.46 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -126.23 163.58 22.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 111.006 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.847 ' HG2' HG21 ' A' ' 108' ' ' THR . 13.6 mt-30 -119.58 6.51 11.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 p -166.45 148.14 6.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.992 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.77 ' CE2' HD11 ' A' ' 42' ' ' LEU . 36.3 p90 -175.76 -176.67 0.87 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.937 ' CE2' HD23 ' A' ' 103' ' ' LEU . 46.4 m-85 -128.3 146.65 50.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 111.053 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.42 ' CG ' ' HB3' ' A' ' 80' ' ' PHE . 3.3 tt0 -52.89 -41.87 64.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -60.74 -39.67 89.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.153 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -59.32 -23.78 62.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.327 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.77 HD11 ' CE2' ' A' ' 37' ' ' PHE . 9.3 mt -93.2 -21.9 19.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 1.4 mt-10 -62.95 -17.72 62.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.2 p -91.04 -9.73 44.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.453 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.755 HG21 ' CE1' ' A' ' 28' ' ' PHE . 95.0 t -81.25 94.69 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -43.44 -53.34 5.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.7 m -44.62 -32.0 1.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.516 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 29.7 mt -86.06 -58.33 2.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -45.2 -43.84 10.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.41 -24.74 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.934 HD22 ' HG3' ' A' ' 24' ' ' LYS . 3.4 tp -99.04 -47.41 5.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.716 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -66.55 -6.08 13.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 49' ' ' GLN . 39.7 t -113.73 -16.65 12.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -44.95 158.91 0.27 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.25 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.479 ' C ' ' CG2' ' A' ' 56' ' ' VAL . 18.5 Cg_endo -74.94 169.82 21.77 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.83 HG11 ' N ' ' A' ' 14' ' ' LEU . 1.8 t -153.43 -142.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.484 ' H ' HG12 ' A' ' 56' ' ' VAL . 48.6 p -108.76 46.09 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 110.4 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -96.39 162.76 13.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.598 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 65.1 p -175.23 57.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.031 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.6 p -137.44 -177.41 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.434 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -97.45 65.65 0.88 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.5 m 54.75 -179.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 0.775 . . . . 0.0 110.033 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -99.82 -54.22 2.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 56.46 54.71 7.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 67.7 t -137.73 125.89 31.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 44.08 45.66 6.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.244 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 tp -131.41 138.28 49.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.14 73.54 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.16 -165.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.94 -74.39 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.03 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -39.68 147.92 0.18 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.478 1.111 . . . . 0.0 110.964 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -46.08 128.63 9.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 0.739 . . . . 0.0 110.387 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.476 ' O ' ' HB3' ' A' ' 76' ' ' ALA . 2.0 t -175.62 -54.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.979 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.487 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . -42.63 -58.13 3.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 55.0 t -41.42 -46.3 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -59.54 -44.01 93.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.487 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 6.2 mt-30 -52.63 -23.98 7.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.463 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -85.17 -34.38 22.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.97 HG13 ' OG1' ' A' ' 18' ' ' THR . 40.3 t -77.16 -36.32 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.517 ' CE2' ' CB ' ' A' ' 52' ' ' ALA . 2.1 m-85 -70.4 -56.56 6.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 82' ' ' ASN . 0.1 OUTLIER -51.84 -39.53 59.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.481 ' HB3' HG21 ' A' ' 18' ' ' THR . 94.9 m-20 -70.03 -42.61 72.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.502 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -49.0 -53.6 19.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.153 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.522 ' HB3' ' CE1' ' A' ' 104' ' ' TYR . 3.7 mm? -55.08 -50.72 68.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -46.19 -58.15 3.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.683 HD11 HG22 ' A' ' 18' ' ' THR . 1.5 mt -46.89 -50.65 18.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.858 HD22 HD13 ' A' ' 92' ' ' LEU . 91.5 mt -50.32 -43.34 53.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.558 ' HG2' HG23 ' A' ' 93' ' ' VAL . 68.4 mt-30 -66.36 -19.16 65.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -88.92 -24.16 22.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -90.92 -29.04 17.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.02 14.31 23.08 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.858 HD13 HD22 ' A' ' 87' ' ' LEU . 4.1 mt -76.09 -44.22 39.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 0.732 . . . . 0.0 109.358 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.558 HG23 ' HG2' ' A' ' 88' ' ' GLN . 2.3 m -128.56 173.04 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 10.5 p90 -161.97 148.67 13.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.482 ' OE1' ' CB ' ' A' ' 102' ' ' LYS . 3.2 mt-30 -122.84 121.91 37.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.258 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.476 ' HG2' HD22 ' A' ' 113' ' ' LEU . 12.4 mtp-105 -81.19 -46.63 14.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.147 . . . . 0.0 110.322 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -96.72 115.81 28.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.22 156.32 15.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.976 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 132.11 124.7 2.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.8 p -44.04 -51.85 7.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 110.028 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -87.61 75.35 9.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.482 ' CB ' ' OE1' ' A' ' 95' ' ' GLN . 13.1 mmtt -132.46 159.04 40.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.937 HD23 ' CE2' ' A' ' 38' ' ' TYR . 1.3 tm? -72.73 134.0 44.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.871 ' N ' HD13 ' A' ' 103' ' ' LEU . 33.5 m-85 -98.45 108.83 21.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.915 ' CD1' HD12 ' A' ' 103' ' ' LEU . 21.3 m-30 -83.2 117.36 22.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.51 HG22 ' H ' ' A' ' 108' ' ' THR . 1.4 p -87.23 151.87 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 108' ' ' THR . 11.9 t -70.06 -40.5 75.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.41 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.847 HG21 ' HG2' ' A' ' 35' ' ' GLN . 6.5 t 36.02 45.41 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.376 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.51 84.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.6 t70 179.77 164.24 1.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.1 163.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -166.09 165.47 17.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.476 HD22 ' HG2' ' A' ' 96' ' ' ARG . 10.4 tp -57.38 153.45 12.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -85.89 148.08 25.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 116' ' ' GLY . 69.1 p -61.44 -59.18 5.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.969 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 115' ' ' SER . . . -37.64 98.39 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.518 1.137 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -41.38 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.772 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 14.9 t 60.01 114.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.975 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.16 -57.03 2.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.956 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.458 1.099 . . . . 0.0 110.963 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.17 140.78 28.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 0.802 . . . . 0.0 110.035 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -64.7 -59.68 3.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.973 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.26 81.24 0.05 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -77.45 86.53 3.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 0.795 . . . . 0.0 110.011 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -178.28 -60.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.981 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.67 78.84 0.06 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 175.18 123.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -118.85 60.27 0.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.251 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -161.77 114.23 1.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -68.65 178.52 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 12' ' ' LEU . 9.0 mt -123.96 178.58 5.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.636 ' HA ' HG12 ' A' ' 56' ' ' VAL . 9.9 t0 -163.13 158.76 22.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.17 . . . . 0.0 109.255 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.819 ' N ' HG11 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -40.09 -45.23 1.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.73 -54.16 12.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.99 -53.28 27.5 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.441 1.088 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.942 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -63.02 -39.17 93.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 0.78 . . . . 0.0 109.315 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.968 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.6 m -58.54 -54.94 41.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.405 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 18' ' ' THR . 5.3 t -36.9 -39.72 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.026 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 tp -67.3 -55.45 13.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.331 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.682 ' CD2' ' HB2' ' A' ' 52' ' ' ALA . 4.4 tp -41.71 -48.87 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.487 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -42.58 -60.63 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.003 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.7 -36.7 74.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.523 ' HB3' ' CD2' ' A' ' 48' ' ' LEU . 46.3 mmtt -59.4 -33.52 71.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.668 HD12 ' O ' ' A' ' 21' ' ' LEU . 1.5 mp -76.19 -53.8 14.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.523 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -47.74 -37.9 14.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.523 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 3.3 mm-40 -68.68 -42.13 78.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.58 ' CE1' HG21 ' A' ' 45' ' ' VAL . 71.0 t80 -55.55 -40.76 72.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 111.032 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.662 HD21 ' CE2' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -59.1 -46.33 88.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -66.84 -17.0 64.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -87.39 -46.56 9.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.578 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 42.6 mmtt -81.57 -14.87 56.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER 55.94 64.27 1.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.476 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -127.0 153.81 45.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.148 . . . . 0.0 111.024 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -111.27 9.62 21.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.439 ' HB2' HD21 ' A' ' 103' ' ' LEU . 11.8 p -167.18 134.07 2.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.801 ' CE1' HD11 ' A' ' 42' ' ' LEU . 34.7 p90 -163.3 170.71 17.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.967 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 1.094 ' CE2' HD12 ' A' ' 103' ' ' LEU . 25.6 m-85 -117.93 145.67 44.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.946 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.484 ' CG ' ' HB3' ' A' ' 80' ' ' PHE . 2.6 tt0 -52.15 -43.28 63.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -61.54 -37.36 83.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.1 -24.0 67.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.801 HD11 ' CE1' ' A' ' 37' ' ' PHE . 11.4 mt -89.4 -23.22 22.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.523 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 38.0 mt-10 -59.13 -32.26 69.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.259 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.2 p -71.72 -12.52 61.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.407 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.58 HG21 ' CE1' ' A' ' 28' ' ' PHE . 33.4 t -77.35 92.25 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.85 -58.34 2.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.8 m -39.26 -41.68 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.035 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.523 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 75.0 mt -73.83 -54.76 7.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.523 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -45.29 -43.37 10.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -48.09 -24.96 1.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.653 HD23 ' HB2' ' A' ' 21' ' ' LEU . 2.8 tp -98.37 -46.45 5.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.682 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -66.66 -5.75 12.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 49' ' ' GLN . 42.5 t -114.67 -15.52 11.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.963 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -47.32 158.34 0.48 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.454 ' C ' ' CG2' ' A' ' 56' ' ' VAL . 18.3 Cg_endo -75.01 167.83 26.17 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.474 1.776 . . . . 0.0 110.963 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.819 HG11 ' N ' ' A' ' 14' ' ' LEU . 1.8 t -151.74 -142.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.495 ' H ' HG12 ' A' ' 56' ' ' VAL . 19.7 p -121.72 58.43 1.01 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.395 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -104.07 158.79 16.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.6 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.1 t -168.23 -51.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 12.7 t -123.01 162.17 22.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 124.93 -169.39 16.89 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.9 m -133.06 168.89 17.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 0.775 . . . . 0.0 109.976 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.524 ' HB2' HG12 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -51.55 117.63 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.71 67.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.263 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.524 HG12 ' HB2' ' A' ' 63' ' ' ASP . 4.5 p -164.22 155.25 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -80.32 62.34 4.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.502 ' O ' ' CG ' ' A' ' 68' ' ' LYS . 0.3 OUTLIER 66.23 137.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.502 ' CG ' ' O ' ' A' ' 67' ' ' LEU . 9.8 mttp 163.72 -66.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -157.5 153.46 27.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 92.7 p -135.45 165.87 24.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.93 -136.79 17.62 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.44 1.088 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.2 p -65.54 169.17 6.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 110.442 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 97.8 p 44.01 67.87 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.982 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.502 ' O ' ' CZ ' ' A' ' 78' ' ' ARG . . . -178.38 -40.49 0.07 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.576 HG13 ' N ' ' A' ' 76' ' ' ALA . 13.7 p -61.77 -55.82 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 0.729 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.576 ' N ' HG13 ' A' ' 75' ' ' VAL . . . -52.21 -30.55 27.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.435 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 10.3 mt-30 -65.93 -18.04 65.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.502 ' CZ ' ' O ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -91.68 -30.83 16.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 110.285 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.968 HG13 ' OG1' ' A' ' 18' ' ' THR . 22.4 t -80.82 -36.03 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.484 ' HB3' ' CG ' ' A' ' 39' ' ' GLN . 1.7 m-85 -70.61 -55.61 8.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -52.65 -39.3 61.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.608 ' HB3' HG21 ' A' ' 18' ' ' THR . 80.8 m-20 -70.27 -42.22 72.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.487 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -49.21 -51.94 29.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.653 HD11 ' CE1' ' A' ' 37' ' ' PHE . 3.8 mm? -56.42 -51.41 68.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.71 -56.45 5.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.665 HD11 HG22 ' A' ' 18' ' ' THR . 1.6 mt -49.2 -50.85 36.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.718 HD22 HD13 ' A' ' 92' ' ' LEU . 86.6 mt -49.71 -44.95 48.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.553 ' HG2' HG23 ' A' ' 93' ' ' VAL . 0.1 OUTLIER -65.28 -21.24 66.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.292 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 86' ' ' LEU . 0.8 OUTLIER -86.07 -24.55 26.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.57 -29.63 16.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.418 ' O ' HG21 ' A' ' 107' ' ' THR . . . 105.39 13.5 24.38 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.496 1.122 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.718 HD13 HD22 ' A' ' 87' ' ' LEU . 6.4 mt -75.0 -38.4 61.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.553 HG23 ' HG2' ' A' ' 88' ' ' GLN . 4.3 m -137.85 175.0 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 105' ' ' TYR . 39.7 p90 -162.64 152.85 16.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -122.3 133.2 54.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.514 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -108.57 84.58 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.266 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 3.6 m-20 155.63 -24.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.9 t 63.66 147.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.009 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 131.22 178.26 15.36 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.8 p -93.64 -36.52 12.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.764 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.68 62.49 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -133.69 158.38 43.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 1.094 HD12 ' CE2' ' A' ' 38' ' ' TYR . 5.5 tt -77.42 153.42 33.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.554 ' CE1' ' HB3' ' A' ' 84' ' ' LEU . 42.8 m-85 -113.04 113.11 24.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.577 ' HB2' ' CE1' ' A' ' 94' ' ' PHE . 43.4 m-85 -88.89 137.89 31.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -83.89 163.98 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.718 HG23 ' N ' ' A' ' 108' ' ' THR . 0.7 OUTLIER -103.93 -165.4 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.398 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.718 ' N ' HG23 ' A' ' 107' ' ' THR . 10.0 t 37.99 -156.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.422 ' N ' ' OG1' ' A' ' 108' ' ' THR . 0.0 OUTLIER -136.83 57.13 1.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.519 ' O ' ' C ' ' A' ' 111' ' ' LYS . 4.4 t0 58.52 91.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.519 ' C ' ' O ' ' A' ' 110' ' ' ASP . 0.0 OUTLIER 31.19 72.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -162.41 175.58 11.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.7 mp -45.74 155.86 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -174.12 -174.44 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.334 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.8 p -101.39 75.71 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.013 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 143.58 140.93 3.73 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 60.75 5.51 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.556 1.819 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.15 117.71 29.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.972 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.1 t -176.51 -59.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.063 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.4 p -154.53 145.13 22.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 109.986 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.34 122.14 6.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.5 71.96 0.05 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.504 1.128 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.27 97.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 0.773 . . . . 0.0 110.05 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.43 171.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.987 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.56 157.39 8.06 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 0.0 111.043 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 m120 60.8 105.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 0.752 . . . . 0.0 109.332 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? 65.87 105.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -159.12 116.71 2.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -61.79 173.54 1.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 12' ' ' LEU . 10.1 mt -122.25 -177.95 3.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.6 OUTLIER -170.24 150.97 3.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.778 ' CD2' HG22 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -36.48 -42.45 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.02 -51.33 22.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.242 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -57.46 -58.38 14.9 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.122 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.042 HD23 HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -56.12 -31.72 63.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 0.767 . . . . 0.0 109.328 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.977 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.3 m -67.56 -56.46 9.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.392 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 18' ' ' THR . 32.1 t -36.8 -33.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.029 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.612 ' HG ' HD11 ' A' ' 51' ' ' LEU . 3.0 tp -76.02 -56.19 4.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.852 ' CD2' ' HB2' ' A' ' 52' ' ' ALA . 27.6 tp -42.16 -48.63 4.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.564 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 1.4 p -39.44 -52.54 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 1.5 mt-10 -62.69 -38.48 90.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.891 ' HG3' HD12 ' A' ' 51' ' ' LEU . 2.7 mmtt -57.67 -41.98 82.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.752 HG21 HD11 ' A' ' 84' ' ' LEU . 6.3 mt -74.0 -43.6 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.491 ' HD2' ' CD2' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -61.54 -37.53 84.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 1.8 mm-40 -69.62 -30.14 67.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.346 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.6 ' CE1' ' CE ' ' A' ' 32' ' ' LYS . 79.1 t80 -68.41 -43.53 77.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 111.048 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.761 HD21 ' CE2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -54.6 -57.36 11.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -65.95 -11.61 48.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.33 -38.35 13.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.6 ' CE ' ' CE1' ' A' ' 28' ' ' PHE . 68.1 mmtt -88.49 -12.45 42.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 mptt 58.06 59.34 3.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.471 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -119.2 170.15 9.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -126.03 4.82 7.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.48 ' HB2' HD11 ' A' ' 103' ' ' LEU . 2.9 p -167.04 153.33 8.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.15 . . . . 0.0 110.009 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.761 ' CE2' HD21 ' A' ' 29' ' ' LEU . 11.2 p90 -178.2 170.73 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 1.018 ' CE2' HD23 ' A' ' 103' ' ' LEU . 59.3 m-85 -116.57 153.01 32.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.952 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.466 ' HG3' HD21 ' A' ' 84' ' ' LEU . 29.5 tt0 -59.15 -23.84 62.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.348 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.483 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 6.0 pt20 -78.01 -45.12 24.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.483 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 9.2 mm-40 -55.4 -20.14 11.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.311 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.743 HD11 ' CE1' ' A' ' 37' ' ' PHE . 12.0 mt -98.36 -20.24 17.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.465 ' HA ' ' CZ ' ' A' ' 80' ' ' PHE . 0.9 OUTLIER -68.62 -9.43 49.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 40' ' ' GLN . 6.3 p -100.91 -3.8 28.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.424 ' CG1' ' HG ' ' A' ' 48' ' ' LEU . 69.1 t -89.03 105.56 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 48' ' ' LEU . 1.9 mt-10 -48.94 -58.32 5.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 46' ' ' GLU . 29.9 m -38.09 -31.7 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.976 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.48 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 41.9 mt -87.29 -60.44 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.554 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.1 mt-30 -46.68 -47.4 20.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 110.302 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.79 -22.26 2.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 110.027 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.891 HD12 ' HG3' ' A' ' 24' ' ' LYS . 0.9 OUTLIER -98.95 -54.62 2.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.852 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -65.34 -6.72 10.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.554 ' N ' ' O ' ' A' ' 49' ' ' GLN . 19.4 m -106.87 -18.01 14.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.013 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.506 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -44.98 158.35 0.29 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 110.256 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.649 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.1 Cg_endo -75.02 168.12 25.53 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.472 1.775 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 1.042 HG11 HD23 ' A' ' 17' ' ' LEU . 0.8 OUTLIER 166.77 150.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.5 t -98.81 138.92 35.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.413 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -167.96 -174.97 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.165 . . . . 0.0 109.575 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.2 p -158.4 159.48 35.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.969 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 98.8 m 64.99 122.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.405 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -117.56 172.23 14.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.42 171.21 11.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.745 . . . . 0.0 109.968 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 62.16 123.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 66' ' ' GLU . 6.1 mp0 -73.61 57.04 0.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.0 p -50.37 93.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 64' ' ' GLN . 29.5 mt-10 -115.29 53.51 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 67' ' ' LEU . 4.4 mm? -101.66 148.62 25.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -56.63 176.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 59.96 155.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.35 171.4 14.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.962 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.01 -153.05 17.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 82.3 p -84.4 53.83 2.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 0.769 . . . . 0.0 110.383 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.3 t -125.89 65.52 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.005 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.497 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . -179.1 -56.74 0.08 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 0.0 111.058 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.558 HG13 ' N ' ' A' ' 76' ' ' ALA . 14.8 p -40.89 -54.69 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.558 ' N ' HG13 ' A' ' 75' ' ' VAL . . . -49.34 -43.04 43.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 4.7 mt-30 -59.12 -22.83 61.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.491 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -87.23 -30.82 20.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.977 HG13 ' OG1' ' A' ' 18' ' ' THR . 21.5 t -79.94 -37.61 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.751 ' O ' HD22 ' A' ' 84' ' ' LEU . 2.1 m-85 -62.0 -57.65 10.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -43.08 73.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.821 ' HB3' HG21 ' A' ' 18' ' ' THR . 88.1 m-20 -63.51 -37.66 88.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.564 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -57.99 -57.47 12.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.752 HD11 HG21 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -54.34 -54.23 43.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.341 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -36.16 -56.52 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.252 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.653 HD12 ' O ' ' A' ' 82' ' ' ASN . 0.9 OUTLIER -56.59 -47.78 78.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.691 HD12 HD12 ' A' ' 84' ' ' LEU . 90.6 mt -50.18 -41.35 49.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.595 ' OE1' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -67.18 -25.97 66.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.67 -23.3 42.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.472 ' HB2' HD12 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -92.19 -29.4 16.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.5 25.06 7.92 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.614 HD13 HD22 ' A' ' 87' ' ' LEU . 2.7 mt -86.51 -35.4 19.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.595 HG23 ' OE1' ' A' ' 88' ' ' GLN . 2.4 m -144.75 176.14 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 5.7 p90 -163.75 157.67 19.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 111.0 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -127.28 118.14 23.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 50.2 mtp85 -72.29 -57.39 4.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.65 -20.18 45.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.73 17.66 3.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.976 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -89.62 149.4 20.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.73 -57.13 13.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 0.738 . . . . 0.0 109.974 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -95.34 74.47 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -134.2 -179.59 5.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.588 1.18 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 1.018 HD23 ' CE2' ' A' ' 38' ' ' TYR . 1.4 tm? -85.55 130.71 34.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.84 ' N ' HD13 ' A' ' 103' ' ' LEU . 24.5 m-85 -96.01 120.53 36.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 111.032 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.971 ' CE1' HD12 ' A' ' 103' ' ' LEU . 20.0 m-85 -93.31 123.27 36.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.51 HG22 ' H ' ' A' ' 108' ' ' THR . 1.4 p -92.16 150.63 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.741 ' O ' HG22 ' A' ' 108' ' ' THR . 11.0 t -62.03 -44.28 97.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.454 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.741 HG22 ' O ' ' A' ' 107' ' ' THR . 14.9 t 50.3 -165.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.389 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.37 -59.24 2.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -168.13 -42.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.0 tttm 73.07 160.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -94.96 110.13 22.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 64.46 120.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -151.46 175.02 12.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.0 m -64.06 -63.26 1.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 110.047 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -108.44 103.82 1.91 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.135 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 103.2 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.547 1.814 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.9 t -79.91 87.89 5.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.971 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 93.2 p -110.49 153.39 25.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.979 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.446 1.091 . . . . 0.0 111.014 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -167.27 -58.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 110.029 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 p -174.49 166.6 3.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.014 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.7 -171.74 44.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.466 1.104 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.466 ' O ' ' CB ' ' A' ' 6' ' ' SER . 22.6 t 60.71 172.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 0.733 . . . . 0.0 110.0 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 5' ' ' SER . 1.0 OUTLIER 161.89 -70.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 110.009 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.15 78.78 0.42 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 178.49 175.96 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 0.773 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.29 131.04 32.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -134.3 114.1 12.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -54.17 174.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 12' ' ' LEU . 10.2 mt -118.02 -179.14 3.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.455 ' C ' HG21 ' A' ' 56' ' ' VAL . 0.5 OUTLIER -167.88 152.39 6.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.761 HD21 HG22 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -38.03 -43.59 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.69 -55.08 14.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.62 -60.78 8.28 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.051 HD23 HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -51.81 -37.01 49.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 0.791 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.787 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.8 m -64.19 -55.01 24.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.423 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.444 ' HA ' HD13 ' A' ' 86' ' ' LEU . 12.2 t -38.37 -43.86 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.623 ' HG ' HD11 ' A' ' 51' ' ' LEU . 2.4 tp -65.36 -57.0 9.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.842 ' CD2' ' HB2' ' A' ' 52' ' ' ALA . 33.2 tp -41.43 -49.41 3.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.541 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -42.56 -49.14 5.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.03 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -64.85 -33.9 77.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.816 ' HG3' HD12 ' A' ' 51' ' ' LEU . 3.3 mmtt -62.17 -37.84 86.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.803 HG23 ' CD1' ' A' ' 42' ' ' LEU . 1.9 mp -72.9 -52.77 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.519 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -50.96 -37.9 47.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.519 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 1.9 mm-40 -67.17 -42.43 84.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.344 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.556 ' CE2' HD22 ' A' ' 42' ' ' LEU . 62.9 t80 -54.78 -33.09 60.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 111.06 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.837 ' CD1' HG13 ' A' ' 106' ' ' VAL . 9.0 mt -69.89 -48.61 57.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -63.8 -10.78 21.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -94.24 -49.41 5.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.132 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.542 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 22.9 mmtp -80.54 -14.38 58.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 29' ' ' LEU . 4.5 mptt 56.09 64.83 1.6 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.42 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -120.28 160.0 23.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -116.45 7.73 13.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.502 ' HB2' HD11 ' A' ' 103' ' ' LEU . 1.9 p -167.43 146.68 5.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.807 ' CE1' HD11 ' A' ' 42' ' ' LEU . 26.0 p90 -175.87 175.49 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 1.066 ' CE2' HD23 ' A' ' 103' ' ' LEU . 36.5 m-85 -120.16 151.65 38.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.475 ' CG ' ' HB3' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -60.01 -38.42 82.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 110.325 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.457 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 8.5 pt20 -64.25 -43.84 93.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.457 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 13.9 mm-40 -55.72 -18.12 7.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 110.338 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.807 HD11 ' CE1' ' A' ' 37' ' ' PHE . 9.0 mt -96.79 -24.11 16.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.083 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.508 ' HG2' ' CD2' ' A' ' 80' ' ' PHE . 0.6 OUTLIER -60.44 -18.54 51.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.333 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.2 p -86.48 -12.18 49.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.379 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.575 ' HB ' HD12 ' A' ' 48' ' ' LEU . 36.3 t -78.44 119.34 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 48' ' ' LEU . 6.3 mm-40 -61.61 -63.13 1.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.3 m -39.78 -29.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.575 HD12 ' HB ' ' A' ' 45' ' ' VAL . 69.4 mt -83.39 -60.24 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.539 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.5 OUTLIER -46.87 -46.39 21.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.37 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.94 -22.94 2.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.974 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.824 HD13 ' HA ' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -98.65 -55.57 2.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.842 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -63.57 -6.76 5.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.539 ' N ' ' O ' ' A' ' 49' ' ' GLN . 7.7 t -109.99 -17.64 13.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.013 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.499 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -43.36 157.91 0.25 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.246 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.638 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.97 168.96 23.67 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 111.028 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 1.051 HG11 HD23 ' A' ' 17' ' ' LEU . 0.9 OUTLIER 165.94 150.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.8 t -85.77 113.54 22.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.166 . . . . 0.0 110.389 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.743 ' CE1' HG13 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -148.05 170.66 17.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.605 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.36 171.61 11.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.96 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 52.7 m -111.24 124.58 52.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 110.409 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -129.16 -150.61 7.15 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.468 1.105 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.4 m -130.65 172.36 12.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 110.028 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -148.93 122.28 9.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -64.84 80.77 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.4 p -159.68 136.2 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -80.1 99.93 7.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.41 167.25 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -113.1 -64.06 1.36 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -154.73 165.25 37.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.22 163.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.971 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 139.05 -153.13 22.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -145.24 80.15 1.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 0.779 . . . . 0.0 110.423 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.3 t -128.46 -50.98 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.983 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -55.26 -23.07 32.13 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.135 . . . . 0.0 111.041 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 55.7 t -71.96 -68.28 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.421 ' O ' ' HB2' ' A' ' 80' ' ' PHE . . . -48.98 -26.48 2.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -61.68 -24.73 66.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.56 ' HG2' HG23 ' A' ' 79' ' ' VAL . 3.5 ptm180 -86.52 -27.98 23.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.152 . . . . 0.0 110.271 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.787 HG13 ' OG1' ' A' ' 18' ' ' THR . 10.5 t -86.93 -34.12 7.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.508 ' CD2' ' HG2' ' A' ' 43' ' ' GLU . 1.7 m-85 -68.05 -54.26 19.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.28 -41.15 65.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.639 ' HB3' HG21 ' A' ' 18' ' ' THR . 91.5 m-20 -64.82 -40.21 94.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.246 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.541 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -52.88 -56.84 12.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.561 HD11 ' CE1' ' A' ' 37' ' ' PHE . 3.4 mm? -52.86 -53.01 55.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -42.43 -57.04 2.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.762 ' CD1' HG22 ' A' ' 18' ' ' THR . 2.3 mt -49.72 -51.43 38.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.237 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.715 HD22 HD13 ' A' ' 92' ' ' LEU . 80.6 mt -48.21 -49.03 34.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.502 ' OE1' HG23 ' A' ' 93' ' ' VAL . 0.1 OUTLIER -62.6 -23.36 67.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 86' ' ' LEU . 1.1 mm-40 -85.3 -25.54 27.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.88 -28.58 17.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.743 ' O ' HG21 ' A' ' 107' ' ' THR . . . 102.46 21.45 10.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.715 HD13 HD22 ' A' ' 87' ' ' LEU . 7.5 mt -82.8 -31.74 28.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.502 HG23 ' OE1' ' A' ' 88' ' ' GLN . 2.4 m -147.25 176.53 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.652 ' CE1' ' CB ' ' A' ' 105' ' ' TYR . 28.5 p90 -163.24 151.7 13.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.443 ' HG3' ' CD1' ' A' ' 104' ' ' TYR . 39.0 mt-30 -93.19 134.18 35.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.503 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 0.2 OUTLIER -107.94 72.05 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.302 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 0.7 OUTLIER 155.58 -25.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.29 128.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 145.96 128.86 2.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -41.54 -52.24 3.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 109.983 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -99.22 76.34 2.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -136.05 160.57 38.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 1.066 HD23 ' CE2' ' A' ' 38' ' ' TYR . 1.8 tm? -63.37 130.97 46.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.801 ' N ' HD13 ' A' ' 103' ' ' LEU . 30.3 m-85 -98.55 131.57 44.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.907 ' CE1' HD12 ' A' ' 103' ' ' LEU . 3.8 m-85 -103.41 138.06 40.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.837 HG13 ' CD1' ' A' ' 29' ' ' LEU . 0.9 OUTLIER -79.45 161.01 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.743 HG21 ' O ' ' A' ' 91' ' ' GLY . 0.7 OUTLIER -121.11 138.52 54.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.396 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 15.3 t -41.5 158.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.65 143.84 32.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -145.08 40.4 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.36 -172.89 3.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -140.16 54.04 1.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -179.96 153.45 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -123.16 165.06 17.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.79 172.01 4.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.032 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -174.76 158.46 26.47 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -177.73 3.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.9 t -110.22 -57.82 2.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 179.46 -60.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.989 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.8 -60.24 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 55.31 170.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.961 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.35 121.23 1.57 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.44 87.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 0.0 109.973 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 p -169.32 168.63 9.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.986 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.36 141.12 4.11 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.548 1.155 . . . . 0.0 111.025 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 169.97 103.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 0.738 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.0 142.25 34.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -165.45 164.37 19.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.416 ' O ' ' O ' ' A' ' 12' ' ' LEU . 5.6 m120 -139.96 101.38 4.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -48.91 177.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -163.09 152.3 14.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.033 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -39.15 -31.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -93.53 -39.08 11.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -64.81 -47.77 79.4 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.111 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.004 HD23 HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -71.59 -33.08 68.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 109.275 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.956 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.2 m -63.19 -46.94 84.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.5 t -42.31 -46.12 4.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.834 HD12 HD11 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -63.97 -50.24 69.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.886 HD23 HG12 ' A' ' 79' ' ' VAL . 7.8 tp -44.0 -45.64 7.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.489 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 17.5 p -43.4 -56.38 3.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.015 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -61.02 -38.67 86.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.544 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . 30.8 mmtt -53.63 -41.34 66.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.679 HG21 HD11 ' A' ' 84' ' ' LEU . 1.5 mp -71.27 -54.97 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.481 ' HD2' ' CD2' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -49.58 -37.11 26.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.41 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 1.5 mm-40 -70.66 -41.77 71.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.359 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.543 ' CE2' HD22 ' A' ' 42' ' ' LEU . 50.5 t80 -53.42 -30.83 42.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.715 ' CD1' HG13 ' A' ' 106' ' ' VAL . 8.3 mt -72.34 -47.62 48.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -63.75 -11.68 28.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -93.7 -49.76 5.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.345 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 22.7 mmtp -80.51 -14.38 58.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' LEU . 17.3 mmtt 56.16 65.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.411 ' HE3' ' CD2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -119.69 168.27 11.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -123.39 6.56 9.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 p -166.74 147.63 6.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.972 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.788 ' CE2' HD11 ' A' ' 42' ' ' LEU . 33.5 p90 -176.66 164.7 2.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.941 ' CE2' HD23 ' A' ' 103' ' ' LEU . 54.1 m-85 -115.03 149.79 36.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.487 ' CG ' ' HB3' ' A' ' 80' ' ' PHE . 1.5 tt0 -54.25 -43.42 70.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.468 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 4.9 pt20 -56.33 -44.66 80.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.468 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 5.1 mm-40 -56.34 -20.62 19.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.788 HD11 ' CE2' ' A' ' 37' ' ' PHE . 8.4 mt -95.93 -23.5 16.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.433 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 1.3 mm-40 -61.61 -27.38 68.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.2 p -93.43 5.89 50.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.406 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.599 HG11 ' CD2' ' A' ' 48' ' ' LEU . 96.1 t -93.86 112.5 26.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 47' ' ' SER . 0.2 OUTLIER -51.24 -57.26 9.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.344 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' GLU . 18.8 m -37.25 -52.77 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.976 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.612 ' HB3' ' CE1' ' A' ' 80' ' ' PHE . 2.0 mm? -67.04 -65.95 0.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.567 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.6 mm-40 -38.27 -50.99 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.5 t -41.56 -27.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.834 HD11 HD12 ' A' ' 20' ' ' LEU . 2.4 tp -100.0 -50.68 3.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.637 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -63.3 -5.72 3.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.567 ' N ' ' O ' ' A' ' 49' ' ' GLN . 4.8 p -107.75 -22.61 12.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.465 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -43.54 156.61 0.28 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.662 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.0 168.27 25.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 1.004 HG11 HD23 ' A' ' 17' ' ' LEU . 0.9 OUTLIER 165.58 150.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 57' ' ' THR . 4.3 t -86.85 110.01 19.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.386 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -136.97 -178.73 5.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.578 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.36 -178.88 7.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.028 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 53.5 m 61.63 126.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 110.432 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.26 130.76 1.3 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 64' ' ' GLN . 1.2 t -179.68 -50.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 110.001 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.484 ' HB3' HG12 ' A' ' 65' ' ' VAL . 0.2 OUTLIER 68.0 -68.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.455 ' CB ' ' O ' ' A' ' 63' ' ' ASP . 0.5 OUTLIER 82.31 44.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.353 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.715 HG13 HD23 ' A' ' 67' ' ' LEU . 1.8 p -144.29 132.06 17.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -45.86 103.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.33 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.715 HD23 HG13 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -168.25 108.24 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt 40.84 85.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -96.94 92.68 6.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.13 79.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.002 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 39.8 -99.63 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.544 1.152 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.3 p -58.76 -167.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 0.737 . . . . 0.0 110.392 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.24 79.65 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.978 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 167.41 -37.89 0.23 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 51.3 t -60.21 -67.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.35 -38.42 19.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.417 ' N ' ' OE2' ' A' ' 43' ' ' GLU . 21.8 mt-30 -54.7 -20.45 8.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.496 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 66.4 mtt180 -92.04 -41.95 10.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.956 HG13 ' OG1' ' A' ' 18' ' ' THR . 33.1 t -66.57 -33.91 66.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.612 ' CE1' ' HB3' ' A' ' 48' ' ' LEU . 2.3 m-85 -67.53 -55.25 14.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -41.56 97.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.791 ' O ' HD12 ' A' ' 86' ' ' LEU . 94.4 m-20 -64.15 -20.17 65.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . -73.84 -44.34 55.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.679 HD11 HG21 ' A' ' 25' ' ' ILE . 2.9 mm? -62.78 -52.69 62.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -38.26 -55.39 1.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.791 HD12 ' O ' ' A' ' 82' ' ' ASN . 1.1 mt -54.63 -51.23 66.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.662 HD12 HD13 ' A' ' 84' ' ' LEU . 87.8 mt -48.76 -41.89 33.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.817 ' OE1' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -66.24 -27.48 67.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -77.72 -25.04 49.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.54 -28.83 18.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.449 ' O ' HG21 ' A' ' 107' ' ' THR . . . 102.27 19.7 13.82 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.629 HD13 HD22 ' A' ' 87' ' ' LEU . 8.5 mt -79.05 -41.23 29.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.817 HG23 ' OE1' ' A' ' 88' ' ' GLN . 1.8 m -137.56 174.29 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.401 ' CE1' ' HB2' ' A' ' 105' ' ' TYR . 48.6 p90 -163.3 154.84 17.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.489 ' NE2' ' CE1' ' A' ' 104' ' ' TYR . 29.8 mt-30 -116.18 118.07 31.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.514 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 0.8 OUTLIER -83.22 62.86 6.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 2.0 m-20 154.93 101.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.31 104.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -171.44 138.4 4.86 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.125 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 m -63.19 -45.75 90.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.83 76.94 2.0 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.2 mmtm -129.36 175.14 8.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.941 HD23 ' CE2' ' A' ' 38' ' ' TYR . 1.2 tm? -81.57 125.45 30.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.76 ' N ' HD13 ' A' ' 103' ' ' LEU . 64.8 m-85 -90.84 93.64 9.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.741 ' CD1' HD12 ' A' ' 103' ' ' LEU . 61.0 m-85 -75.54 140.96 43.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.715 HG13 ' CD1' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -82.88 164.11 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.638 ' O ' HG22 ' A' ' 108' ' ' THR . 1.2 t -100.19 -35.0 9.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.386 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.638 HG22 ' O ' ' A' ' 107' ' ' THR . 15.1 t 47.14 -167.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.22 169.76 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 65.42 115.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.32 170.53 15.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.362 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -140.74 -49.74 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 176.86 147.5 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -168.91 82.13 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.312 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.28 171.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 156.09 155.86 7.57 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 154.55 42.71 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.473 1.775 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.37 -57.34 3.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.002 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.6 m -60.25 148.06 37.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.029 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 t -171.99 120.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 109.989 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m 179.96 164.25 1.13 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.54 -71.11 0.22 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m 64.16 69.26 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 110.001 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 t -167.09 169.93 12.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.955 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.78 89.61 0.07 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.4 t30 175.77 98.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 0.797 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -174.54 117.11 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -160.34 107.85 1.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.82 -177.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 12' ' ' LEU . 8.8 mt -124.85 -176.72 3.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.679 ' HA ' HG12 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -170.91 155.2 4.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.775 ' N ' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -42.84 -36.42 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.26 -56.21 5.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.08 -53.47 44.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.47 1.106 . . . . 0.0 110.969 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.027 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -53.64 -36.68 62.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 0.744 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.591 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.3 m -68.67 -55.82 10.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.418 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.0 t -41.11 -32.09 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 21' ' ' LEU . 6.3 tp -76.05 -54.2 7.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.792 HD23 HG12 ' A' ' 79' ' ' VAL . 7.0 tp -40.13 -47.69 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.452 ' O ' HD21 ' A' ' 87' ' ' LEU . 70.1 p -40.46 -58.0 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.989 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 1.2 mt-10 -60.97 -32.91 72.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.36 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.781 ' HG3' HD22 ' A' ' 51' ' ' LEU . 8.4 mmtt -63.26 -36.73 84.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.76 HG23 ' CD1' ' A' ' 42' ' ' LEU . 4.8 mt -78.52 -54.17 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.515 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -48.52 -38.64 20.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.515 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 1.9 mm-40 -66.66 -43.3 84.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.57 ' CE1' ' HE3' ' A' ' 32' ' ' LYS . 47.2 t80 -55.99 -26.79 49.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.572 ' CD2' ' CE2' ' A' ' 37' ' ' PHE . 11.3 mt -76.5 -46.96 24.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -63.52 -10.54 18.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -94.22 -50.87 5.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.57 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 8.8 mmtp -80.99 -21.54 40.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.52 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER 55.57 67.52 1.0 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.56 ' SD ' ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -104.86 173.81 6.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -124.5 -6.65 7.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.552 ' HB2' HD21 ' A' ' 103' ' ' LEU . 8.6 p -169.0 136.87 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.977 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.572 ' CE2' ' CD2' ' A' ' 29' ' ' LEU . 8.4 p90 -164.3 168.44 18.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 1.087 ' CZ ' HD12 ' A' ' 103' ' ' LEU . 59.4 m-85 -113.1 154.74 26.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.529 ' HB2' ' CE2' ' A' ' 104' ' ' TYR . 1.5 tt0 -61.01 -36.76 80.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.501 ' O ' HG23 ' A' ' 44' ' ' THR . 11.3 pt20 -62.79 -30.15 71.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.267 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -67.96 -19.04 64.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.76 ' CD1' HG23 ' A' ' 25' ' ' ILE . 9.3 mt -99.12 -22.37 15.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.439 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 1.9 mm-40 -64.18 -27.18 68.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 40' ' ' GLN . 16.6 p -90.05 3.72 52.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.389 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.678 HG11 ' CD2' ' A' ' 48' ' ' LEU . 57.6 t -90.52 130.36 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 47' ' ' SER . 1.3 tt0 -66.83 -59.87 3.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 46' ' ' GLU . 38.1 m -37.27 -49.81 0.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.678 ' CD2' HG11 ' A' ' 45' ' ' VAL . 1.7 mm? -68.33 -67.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 53' ' ' SER . 3.1 mm-40 -38.46 -51.76 1.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.23 -28.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.781 HD22 ' HG3' ' A' ' 24' ' ' LYS . 1.8 tp -99.93 -49.49 4.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.246 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.532 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -61.59 -6.3 2.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 49' ' ' GLN . 69.4 m -113.94 -11.78 12.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.99 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 1.0 OUTLIER -54.02 160.22 2.42 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.457 ' C ' ' CG2' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.99 172.48 16.29 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.421 1.748 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.775 HG11 ' N ' ' A' ' 14' ' ' LEU . 1.9 t -152.36 -143.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.541 ' H ' HG12 ' A' ' 56' ' ' VAL . 9.4 t -162.69 53.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.412 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -111.74 -177.84 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.589 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.92 94.79 2.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.006 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.3 p -146.9 -167.21 2.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.372 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -130.06 -149.68 6.74 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.536 1.147 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.44 -57.97 0.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 0.75 . . . . 0.0 110.043 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.59 128.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -63.44 87.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.6 p -166.26 142.13 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 66.7 69.99 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 69.52 125.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -51.35 178.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 173.84 94.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.283 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.1 m -86.59 -67.74 0.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.968 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.87 -94.96 0.08 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.54 1.15 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -153.75 120.42 5.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 110.394 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.13 -57.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.955 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.02 -34.58 5.89 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.408 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 45.1 t -59.76 -65.6 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.39 -39.75 23.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -54.72 -21.26 10.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.501 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 86.3 mtt-85 -90.41 -40.37 12.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.792 HG12 HD23 ' A' ' 21' ' ' LEU . 40.0 t -67.06 -34.6 70.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.596 ' CZ ' ' HB3' ' A' ' 48' ' ' LEU . 3.1 m-85 -68.59 -54.84 14.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.954 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.414 ' NZ ' ' HB3' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -61.74 -41.94 98.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.586 ' O ' HD12 ' A' ' 86' ' ' LEU . 93.0 m-20 -63.46 -22.78 67.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . -71.36 -50.33 33.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.853 HD13 HD12 ' A' ' 87' ' ' LEU . 3.2 mm? -55.1 -51.0 67.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -38.55 -54.66 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.317 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 82' ' ' ASN . 1.0 OUTLIER -59.39 -41.79 90.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.879 HD22 HD13 ' A' ' 92' ' ' LEU . 90.5 mt -57.25 -43.54 83.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -64.65 -19.53 65.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.255 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -87.96 -26.84 22.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 110.259 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.75 -29.63 22.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.24 17.63 15.34 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.879 HD13 HD22 ' A' ' 87' ' ' LEU . 4.3 mt -78.23 -34.7 49.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.3 m -142.24 176.41 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.59 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 12.8 p90 -162.24 148.81 13.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.466 ' NE2' ' CE1' ' A' ' 104' ' ' TYR . 17.9 mt-30 -119.18 121.58 40.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.409 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 29.4 mtp180 -87.58 55.1 3.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 0.7 OUTLIER 162.91 -49.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.52 168.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.015 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 101' ' ' ASP . . . 132.29 42.85 0.17 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 99' ' ' GLY . 0.9 OUTLIER 37.93 31.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 0.775 . . . . 0.0 110.001 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 99' ' ' GLY . 55.3 p30 -169.06 44.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -135.18 171.21 14.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 1.087 HD12 ' CZ ' ' A' ' 38' ' ' TYR . 6.1 tt -81.74 153.54 26.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.529 ' CE2' ' HB2' ' A' ' 39' ' ' GLN . 46.9 m-85 -111.04 91.89 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.59 ' HB3' ' CZ ' ' A' ' 94' ' ' PHE . 68.4 m-85 -71.25 116.42 11.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.419 ' HB ' HD13 ' A' ' 29' ' ' LEU . 1.8 p -79.77 151.34 4.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 11.3 t -58.1 141.4 50.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.385 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.41 ' CG2' ' N ' ' A' ' 109' ' ' LYS . 6.1 t -174.34 -46.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.386 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.41 ' N ' ' CG2' ' A' ' 108' ' ' THR . 0.0 OUTLIER -160.53 72.17 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -141.68 84.19 1.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -127.49 -175.8 3.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.409 ' O ' ' HB3' ' A' ' 113' ' ' LEU . 49.3 m-20 -51.79 -39.42 58.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.442 ' HG ' ' N ' ' A' ' 114' ' ' GLN . 0.2 OUTLIER 68.1 146.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.442 ' N ' ' HG ' ' A' ' 113' ' ' LEU . 1.8 mt-30 -107.21 168.86 8.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 110.3 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 114' ' ' GLN . 2.5 t -39.01 143.0 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 167.98 168.33 29.95 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 81.75 2.15 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.468 1.772 . . . . 0.0 111.028 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 51.7 p -171.22 171.49 5.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 58.4 m -152.47 147.07 25.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m -169.03 141.87 2.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 0.791 . . . . 0.0 109.964 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.74 163.17 16.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.94 160.26 8.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -143.06 -59.6 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.783 . . . . 0.0 109.981 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t 66.53 150.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.031 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.65 103.62 1.84 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.56 1.162 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.6 t30 179.16 161.18 0.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 0.731 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.68 172.48 5.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -125.33 -59.71 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 71.87 170.0 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 12' ' ' LEU . 9.8 mt -135.16 177.24 7.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.516 ' C ' HG21 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -161.46 152.86 18.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.54 ' HB2' ' CD2' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -39.2 -34.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.22 -48.97 14.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -60.6 -57.26 19.84 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.992 HD23 HG11 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -54.04 -39.72 66.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.34 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.487 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.2 m -60.34 -59.93 4.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 110.434 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 18' ' ' THR . 7.7 t -38.53 -35.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 110.042 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.42 ' HG ' HD21 ' A' ' 51' ' ' LEU . 4.0 tp -71.8 -53.97 11.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.995 ' CD1' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -41.28 -50.45 3.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.498 ' O ' ' HB3' ' A' ' 26' ' ' LYS . 52.5 p -35.23 -58.72 0.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.477 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . 1.7 mm-40 -59.53 -36.67 76.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.616 ' HG3' HD22 ' A' ' 51' ' ' LEU . 23.1 mmtt -64.3 -55.97 17.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.995 HD11 ' CD1' ' A' ' 21' ' ' LEU . 7.2 mt -58.63 -49.47 82.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.511 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -55.56 -39.68 70.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.511 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 1.7 mm-40 -60.93 -42.3 97.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.584 ' CE1' ' HE3' ' A' ' 32' ' ' LYS . 84.5 t80 -56.98 -36.17 70.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.613 HD21 ' CZ ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -61.27 -48.84 79.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -69.86 -14.31 62.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -83.93 -43.46 15.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.616 ' HB2' ' SD ' ' A' ' 34' ' ' MET . 22.3 mmtp -91.54 -23.3 19.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER 58.96 67.57 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.616 ' SD ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -110.35 177.89 4.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 111.042 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -124.41 -5.28 7.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.296 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.743 ' HB2' HD11 ' A' ' 103' ' ' LEU . 0.2 OUTLIER -168.22 142.83 3.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.019 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.675 ' CE1' HD11 ' A' ' 42' ' ' LEU . 38.2 p90 -163.71 161.37 23.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 1.088 ' CE2' HD23 ' A' ' 103' ' ' LEU . 44.6 m-85 -109.92 153.54 24.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.971 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -50.34 -33.8 21.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.408 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 5.4 pt20 -69.62 -41.79 75.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.408 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 16.5 mm-40 -56.06 -17.58 7.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.871 HD13 HG23 ' A' ' 25' ' ' ILE . 11.1 mt -104.24 -18.42 14.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.449 ' O ' ' CD ' ' A' ' 49' ' ' GLN . 8.1 mt-10 -68.0 -6.58 23.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.284 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.1 p -107.82 -2.61 19.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.378 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.498 HG21 ' CZ ' ' A' ' 28' ' ' PHE . 77.2 t -84.92 93.85 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.425 ' C ' ' N ' ' A' ' 48' ' ' LEU . 0.4 OUTLIER -46.59 -58.92 3.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 110.284 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.4 m -41.95 -28.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.974 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.505 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 18.0 mt -90.3 -61.12 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.496 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -43.34 -46.29 6.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.57 -26.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.975 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.616 HD22 ' HG3' ' A' ' 24' ' ' LYS . 1.9 tp -98.86 -48.33 4.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.464 ' HB2' HD11 ' A' ' 21' ' ' LEU . . . -62.74 -8.49 6.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 49' ' ' GLN . 57.9 m -113.03 -19.19 11.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -41.72 159.38 0.18 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.641 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.95 169.12 23.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.778 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.992 HG11 HD23 ' A' ' 17' ' ' LEU . 1.2 p 164.59 150.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.8 t -81.94 119.85 24.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.54 ' CD2' ' HB2' ' A' ' 14' ' ' LEU . 1.5 p80 -175.39 170.48 3.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.585 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.2 p -63.53 -177.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.985 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 64.8 p -124.93 165.12 18.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.377 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -160.6 -164.87 16.31 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.6 p -158.48 171.58 19.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 110.008 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.57 150.3 15.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -66.49 76.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.5 p -155.8 131.6 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -128.23 55.34 1.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.24 -63.91 0.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -128.09 55.27 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 48.75 88.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.0 m 40.01 90.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.971 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -144.32 71.17 0.38 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 111.042 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 59.5 p 38.72 88.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 110.449 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.73 -61.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.03 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.65 -39.5 16.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.446 1.091 . . . . 0.0 111.041 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.2 t -61.9 -61.91 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 0.79 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.92 -32.78 21.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -62.47 -17.43 59.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.497 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 80.5 mtt-85 -93.93 -29.76 15.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.344 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.778 HG12 HD12 ' A' ' 21' ' ' LEU . 20.7 t -77.93 -32.43 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.475 ' O ' HD12 ' A' ' 84' ' ' LEU . 1.3 m-85 -76.79 -30.55 56.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.43 ' NZ ' ' HB3' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -86.25 -37.53 18.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 78' ' ' ARG . 87.0 m-20 -71.31 -45.41 63.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.548 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . . . -58.75 -42.04 87.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.704 HD23 HD12 ' A' ' 87' ' ' LEU . 45.4 mt -62.94 -32.78 74.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.9 -57.91 10.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 83' ' ' ALA . 1.2 mp -48.82 -42.42 36.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.831 HD22 HD13 ' A' ' 92' ' ' LEU . 79.6 mt -53.54 -44.07 68.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.357 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.424 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 6.5 mt-30 -65.68 -21.22 66.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -86.36 -30.83 21.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.44 ' HB2' HD12 ' A' ' 92' ' ' LEU . 1.2 mttm -83.53 -29.97 27.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.94 16.64 16.32 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.461 1.101 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.831 HD13 HD22 ' A' ' 87' ' ' LEU . 3.1 mt -76.79 -31.43 56.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 88' ' ' GLN . 1.2 m -146.33 172.49 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.582 ' CD1' ' HB2' ' A' ' 105' ' ' TYR . 39.9 p90 -163.81 145.99 9.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.442 ' OE1' ' CE2' ' A' ' 104' ' ' TYR . 22.1 mt-30 -117.05 136.58 52.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.245 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -96.28 -45.84 6.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.15 -21.31 61.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.03 166.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.097 . . . . 0.0 109.988 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 106.84 149.93 16.71 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.456 1.098 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.7 t -68.55 142.44 55.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 109.989 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 44.7 t0 63.89 53.86 1.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.538 ' O ' ' CD1' ' A' ' 104' ' ' TYR . 27.3 mmtt -124.35 175.33 7.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 1.088 HD23 ' CE2' ' A' ' 38' ' ' TYR . 1.3 tm? -75.33 124.06 26.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.538 ' CD1' ' O ' ' A' ' 102' ' ' LYS . 59.6 m-85 -102.64 114.26 28.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.867 ' CE1' HD12 ' A' ' 103' ' ' LEU . 20.5 m-30 -80.62 124.22 28.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.573 HG22 ' CE2' ' A' ' 37' ' ' PHE . 1.6 t -67.15 163.54 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 108' ' ' THR . 9.7 t -89.82 -172.72 3.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.404 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.6 HG23 ' H ' ' A' ' 109' ' ' LYS . 0.5 OUTLIER -37.33 -60.42 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.382 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.6 ' H ' HG23 ' A' ' 108' ' ' THR . 0.5 OUTLIER 69.24 82.06 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -44.38 103.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.79 -178.64 6.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -164.28 164.26 22.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.5 tt -41.1 110.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -177.14 159.13 1.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.1 t -47.32 -62.72 1.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.963 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 58.89 91.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 172.08 17.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.9 p -171.39 159.58 5.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.025 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 89.1 p -151.37 155.06 37.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 179.965 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.67 152.17 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 0.783 . . . . 0.0 110.018 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.9 p -165.59 171.38 13.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.038 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.48 -170.85 20.75 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.96 139.15 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 109.993 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.97 157.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.2 174.42 41.79 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.449 1.093 . . . . 0.0 110.963 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -131.44 168.09 18.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.35 174.45 12.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 59.19 112.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -68.22 175.03 3.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 12' ' ' LEU . 9.9 mt -115.26 178.1 4.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.492 ' C ' HG21 ' A' ' 56' ' ' VAL . 1.7 m-20 -166.75 155.88 10.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.965 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -37.52 -40.55 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.34 -47.69 19.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -57.22 -54.99 32.8 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.058 HD23 HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -63.52 -28.93 70.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 109.301 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.906 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.0 OUTLIER -66.52 -51.2 59.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.398 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 18' ' ' THR . 22.7 t -38.47 -37.36 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.556 HD12 HD11 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -73.44 -55.22 6.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.984 HD23 HG12 ' A' ' 79' ' ' VAL . 13.9 tp -42.66 -43.15 3.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.676 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 5.2 p -39.14 -55.98 1.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.04 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.59 -37.42 86.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.757 ' HG3' HD22 ' A' ' 51' ' ' LEU . 21.9 mmtt -55.0 -40.76 70.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.597 HG21 ' CD2' ' A' ' 84' ' ' LEU . 1.3 mp -72.12 -51.5 30.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.497 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -55.96 -39.11 71.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.497 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 1.4 mm-40 -65.41 -44.41 87.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.699 ' CZ ' HG21 ' A' ' 45' ' ' VAL . 76.7 t80 -50.4 -35.57 28.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 33' ' ' LYS . 9.1 mt -66.81 -46.34 75.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -63.55 -14.14 48.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -94.0 -48.21 6.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.568 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 16.6 mmtp -79.83 -16.11 56.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 29' ' ' LEU . 8.4 mttt 57.74 65.7 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.405 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -128.76 146.41 50.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 110.981 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.519 ' HA ' HG13 ' A' ' 106' ' ' VAL . 27.3 mt-30 -106.6 8.53 31.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 p -166.7 136.76 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.601 ' CD2' HD21 ' A' ' 42' ' ' LEU . 37.0 p90 -166.62 -176.1 3.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.955 ' CZ ' HD23 ' A' ' 103' ' ' LEU . 91.9 m-85 -128.77 147.7 50.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.727 ' HA ' HD23 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -53.4 -24.87 13.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.324 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.5 ' O ' HG23 ' A' ' 44' ' ' THR . 6.6 pt20 -74.54 -13.22 60.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.533 ' O ' HG23 ' A' ' 45' ' ' VAL . 18.7 mm-40 -83.63 -14.27 52.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.874 ' N ' HD22 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -106.69 -20.85 13.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.471 ' OE2' ' CD2' ' A' ' 80' ' ' PHE . 5.5 mm-40 -65.24 -28.34 69.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 40' ' ' GLN . 3.1 p -93.94 -1.83 54.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.417 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.699 HG21 ' CZ ' ' A' ' 28' ' ' PHE . 99.0 t -89.32 106.68 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 47' ' ' SER . 0.0 OUTLIER -47.58 -54.36 11.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.292 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -38.11 -51.27 1.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.948 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.645 ' HB3' ' CE1' ' A' ' 80' ' ' PHE . 2.4 mm? -67.49 -65.84 0.64 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.558 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.0 mt-30 -38.11 -48.45 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.6 t -42.84 -28.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.005 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.816 HD23 ' HB2' ' A' ' 21' ' ' LEU . 1.7 tp -100.2 -50.66 3.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.476 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -61.43 -8.39 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.558 ' N ' ' O ' ' A' ' 49' ' ' GLN . 51.7 p -108.48 -23.8 11.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.995 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.472 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.7 OUTLIER -39.58 159.5 0.12 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.663 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.98 166.34 29.42 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 1.058 HG11 HD23 ' A' ' 17' ' ' LEU . 0.6 OUTLIER 167.11 150.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.534 HG23 ' O ' ' A' ' 57' ' ' THR . 4.3 t -88.14 88.97 7.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.402 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.438 ' CE1' HG13 ' A' ' 56' ' ' VAL . 0.5 OUTLIER -117.67 170.94 8.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.608 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.6 t -144.36 95.65 2.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.018 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.9 t -166.6 168.88 14.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -160.97 149.69 18.93 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.132 . . . . 0.0 111.042 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.93 175.41 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 109.994 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 167.86 119.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -85.61 12.41 8.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 64' ' ' GLN . 5.9 t 38.44 64.06 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -162.07 72.75 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 tp -166.6 144.31 5.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.355 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.38 158.63 31.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 56.25 166.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.23 168.3 14.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.971 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.95 -162.57 12.38 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.2 t -63.51 139.77 58.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 0.751 . . . . 0.0 110.412 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.413 ' O ' ' HB3' ' A' ' 76' ' ' ALA . 0.5 OUTLIER 166.5 -49.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.005 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.495 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . -47.46 -48.8 21.58 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 79' ' ' VAL . 77.5 t -43.09 -42.73 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -61.28 -43.43 98.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.495 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 10.8 mt-30 -52.45 -20.14 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.463 ' NH1' ' C ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -89.87 -32.32 16.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.286 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.984 HG12 HD23 ' A' ' 21' ' ' LEU . 12.8 t -77.61 -37.68 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.645 ' CE1' ' HB3' ' A' ' 48' ' ' LEU . 7.8 m-85 -64.1 -49.34 72.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 111.041 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -43.93 85.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.475 ' HB3' HG21 ' A' ' 18' ' ' THR . 91.5 m-20 -60.39 -44.47 95.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.676 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -53.86 -47.32 71.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.683 HD23 HD12 ' A' ' 87' ' ' LEU . 17.6 mt -57.53 -51.12 70.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.8 OUTLIER -37.64 -56.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.447 HD11 HG22 ' A' ' 18' ' ' THR . 1.0 OUTLIER -54.32 -46.68 72.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.787 HD22 HD13 ' A' ' 92' ' ' LEU . 73.4 mt -49.91 -44.75 50.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -64.12 -25.18 67.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.257 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -80.49 -34.64 35.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.44 ' HB2' HD12 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -79.57 -28.82 41.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.14 17.8 17.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.787 HD13 HD22 ' A' ' 87' ' ' LEU . 3.1 mt -76.3 -37.03 58.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 0.738 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 105' ' ' TYR . 1.3 m -139.76 176.24 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 6.5 p90 -162.86 146.23 11.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -107.93 127.33 53.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -101.31 -66.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.097 . . . . 0.0 110.282 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 98' ' ' SER . 60.0 m-20 -52.91 -23.82 7.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 97' ' ' ASP . 0.4 OUTLIER 61.0 141.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.411 ' CA ' ' HG3' ' A' ' 102' ' ' LYS . . . 133.25 159.04 8.96 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.537 1.148 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.2 p -58.94 -73.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.753 . . . . 0.0 109.975 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -79.13 75.45 5.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.411 ' HG3' ' CA ' ' A' ' 99' ' ' GLY . 37.2 mmtt -132.45 163.84 27.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.955 HD23 ' CZ ' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -75.94 127.56 33.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.806 ' N ' HD13 ' A' ' 103' ' ' LEU . 55.0 m-85 -95.23 104.06 15.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.865 ' CD1' HD12 ' A' ' 103' ' ' LEU . 22.5 m-30 -73.83 126.82 31.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.519 HG13 ' HA ' ' A' ' 35' ' ' GLN . 0.7 OUTLIER -101.18 147.35 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 106' ' ' VAL . 1.7 t -38.75 144.1 0.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.39 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.43 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 8.8 t -41.3 -45.9 3.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.423 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 111' ' ' LYS . 2.9 ttpm? 49.31 92.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 109' ' ' LYS . 0.3 OUTLIER -39.44 99.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 109' ' ' LYS . 0.2 OUTLIER -116.69 -168.45 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.42 98.8 11.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 68.04 -179.01 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.11 102.57 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 80.5 p -50.62 -179.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.998 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -118.51 150.1 18.16 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 161.72 38.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.56 1.821 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 29.1 t -166.41 117.12 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.8 p -64.25 145.33 56.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.05 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.494 1.121 . . . . 0.0 110.966 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 m -152.23 169.76 21.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.773 . . . . 0.0 110.0 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -175.62 168.57 3.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.63 -115.3 0.33 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.76 150.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 110.003 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -177.09 152.3 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.35 174.75 37.39 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -157.21 94.68 1.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 0.78 . . . . 0.0 109.375 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.21 161.33 2.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.356 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -168.69 -64.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 12' ' ' LEU . 85.3 m-20 59.05 81.36 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 12' ' ' LEU . 0.6 OUTLIER -51.12 -178.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.608 ' HA ' HG12 ' A' ' 56' ' ' VAL . 0.1 OUTLIER 174.84 158.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.819 ' N ' HG11 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -41.82 -28.32 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 13' ' ' ASP . . . -94.01 -38.49 11.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -66.03 -51.56 44.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.901 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -66.68 -32.96 74.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.685 ' OG1' HG13 ' A' ' 79' ' ' VAL . 0.9 OUTLIER -60.81 -56.12 24.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 110.394 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.4 t -39.98 -45.6 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.972 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.65 HD12 HD11 ' A' ' 51' ' ' LEU . 1.4 tm? -61.92 -50.45 72.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.04 HD23 HG12 ' A' ' 79' ' ' VAL . 7.3 tp -47.59 -44.15 26.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.477 ' O ' HD21 ' A' ' 87' ' ' LEU . 3.5 p -43.22 -50.74 6.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.972 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 4.2 mt-10 -65.08 -30.18 71.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.721 ' HB2' HD12 ' A' ' 21' ' ' LEU . 12.3 mmtt -65.94 -42.32 90.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.729 ' O ' HD22 ' A' ' 29' ' ' LEU . 3.0 mt -73.13 -45.39 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.512 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -58.99 -38.61 79.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.512 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 4.7 mm-40 -69.73 -44.84 69.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.812 ' CE1' HG21 ' A' ' 45' ' ' VAL . 77.9 t80 -43.73 -39.58 3.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.729 HD22 ' O ' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -61.43 -46.08 91.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -66.87 -15.39 63.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -90.43 -48.15 7.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.571 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 24.1 mmtp -80.95 -16.41 53.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER 57.8 64.68 1.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.457 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -127.56 143.11 51.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 110.985 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -96.16 1.11 52.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.412 ' CB ' HD11 ' A' ' 103' ' ' LEU . 0.3 OUTLIER -165.04 141.14 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.984 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.563 ' CD2' HD21 ' A' ' 42' ' ' LEU . 44.5 p90 -165.17 -179.48 5.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 1.0 ' CZ ' HD23 ' A' ' 103' ' ' LEU . 97.4 m-85 -125.8 149.27 48.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.742 ' HA ' HD23 ' A' ' 42' ' ' LEU . 26.6 tt0 -53.18 -25.8 15.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.503 ' O ' HG23 ' A' ' 44' ' ' THR . 6.3 pt20 -73.37 -13.95 61.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.563 ' O ' HG23 ' A' ' 45' ' ' VAL . 14.7 mm-40 -83.24 -10.75 58.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.884 ' N ' HD22 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -110.14 -21.22 12.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.424 ' OE2' ' NE2' ' A' ' 39' ' ' GLN . 39.2 mt-10 -65.0 -29.91 70.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 40' ' ' GLN . 2.2 p -93.48 -2.69 54.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 110.362 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.812 HG21 ' CE1' ' A' ' 28' ' ' PHE . 95.9 t -87.51 96.93 6.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -40.85 -49.29 3.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.261 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.63 -50.7 4.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.991 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.636 ' HB3' ' CE1' ' A' ' 80' ' ' PHE . 2.7 mm? -69.39 -64.3 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.544 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -39.83 -48.44 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.263 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.87 -27.8 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.675 HD23 ' HB2' ' A' ' 21' ' ' LEU . 2.4 tp -99.97 -46.78 5.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.639 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -66.69 -3.07 5.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.544 ' N ' ' O ' ' A' ' 49' ' ' GLN . 24.0 t -113.94 -13.58 12.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.995 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.426 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -51.11 159.08 1.09 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.443 ' C ' ' CG2' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.04 168.34 25.03 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.819 HG11 ' N ' ' A' ' 14' ' ' LEU . 1.7 t -151.39 -143.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.495 ' H ' HG12 ' A' ' 56' ' ' VAL . 40.5 p -105.22 23.15 14.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -69.36 152.75 44.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.578 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.16 61.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.4 m -155.54 -67.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.393 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.67 119.4 1.17 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.448 1.093 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 t -170.54 83.53 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 0.765 . . . . 0.0 110.033 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 179.79 61.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -94.4 105.74 17.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -107.79 -169.99 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -98.39 64.06 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -91.46 -166.7 1.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -59.8 -67.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 177.84 87.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.267 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -172.59 155.79 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.002 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -101.47 52.22 0.89 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.18 122.0 2.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.415 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 p 179.1 147.25 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 110.048 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 86.31 -44.02 3.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.452 ' O ' HG23 ' A' ' 79' ' ' VAL . 50.2 t -43.16 -62.39 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 0.773 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.2 -49.09 61.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -51.48 -31.02 22.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.285 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.52 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 74.6 mtt-85 -77.72 -33.97 52.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 1.04 HG12 HD23 ' A' ' 21' ' ' LEU . 21.2 t -72.84 -32.7 41.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.636 ' CE1' ' HB3' ' A' ' 48' ' ' LEU . 5.4 m-85 -69.94 -35.99 74.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.504 ' CB ' ' OE1' ' A' ' 39' ' ' GLN . 0.1 OUTLIER -79.78 -45.98 17.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.66 ' O ' HD12 ' A' ' 86' ' ' LEU . 86.2 m-20 -61.17 -30.35 70.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.9 -42.22 70.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.729 HD21 HG21 ' A' ' 25' ' ' ILE . 23.5 mt -62.65 -47.85 81.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.17 -54.87 2.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 82' ' ' ASN . 1.1 mp -52.54 -44.48 65.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.699 HD12 HD23 ' A' ' 84' ' ' LEU . 29.0 mt -51.9 -45.75 64.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -64.91 -20.21 66.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -87.6 -29.63 21.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.448 ' HB2' HD12 ' A' ' 92' ' ' LEU . 6.9 mttm -85.49 -29.45 24.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.13 16.24 19.36 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.483 1.115 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.684 HD13 HD22 ' A' ' 87' ' ' LEU . 3.1 mt -76.97 -33.62 57.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.425 ' HA ' ' O ' ' A' ' 105' ' ' TYR . 1.2 m -142.14 172.49 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.24 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 31.8 p90 -162.25 148.54 13.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.535 ' OE1' ' CE1' ' A' ' 104' ' ' TYR . 33.4 mt-30 -115.79 118.13 32.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.264 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.405 ' O ' ' CG ' ' A' ' 97' ' ' ASP . 2.5 mtt180 -105.61 75.67 1.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 96' ' ' ARG . 4.0 m-20 175.3 -35.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.0 p 77.06 116.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.974 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 162.13 179.41 36.75 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.546 1.154 . . . . 0.0 111.046 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.8 p -93.85 -59.66 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 109.979 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -88.27 79.03 7.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -136.17 166.19 23.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 1.0 HD23 ' CZ ' ' A' ' 38' ' ' TYR . 1.1 tm? -75.99 127.07 32.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.81 ' N ' HD13 ' A' ' 103' ' ' LEU . 64.3 m-85 -91.94 104.81 17.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.886 ' CD1' HD12 ' A' ' 103' ' ' LEU . 23.3 m-30 -75.15 132.29 41.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.426 HG22 ' CE1' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -85.78 162.06 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 92' ' ' LEU . 4.9 t -94.02 129.81 40.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.374 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.7 t -63.36 134.6 56.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 110.429 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.35 73.47 9.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.3 102.67 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.9 mttt 40.83 87.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 114' ' ' GLN . 0.1 OUTLIER -162.14 128.25 3.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.8 mp 60.77 -84.66 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 112' ' ' ASP . 6.9 mt-30 -101.36 162.58 12.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 88.1 p -163.76 164.16 23.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 134.75 168.94 11.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.141 . . . . 0.0 111.045 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.6 35.53 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.454 1.765 . . . . 0.0 111.039 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.4 t -109.19 -59.83 1.84 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 110.039 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 96.6 p -53.72 139.58 32.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.953 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.102 . . . . 0.0 110.975 -179.964 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t 64.58 146.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 0.79 . . . . 0.0 109.978 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -130.97 165.9 22.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.984 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.42 152.86 21.82 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.7 p -133.55 -64.69 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 110.035 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.69 161.65 15.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 110.032 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.0 173.71 14.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 0.0 111.054 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -176.71 168.89 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.88 170.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -143.34 -51.25 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.8 m120 60.43 176.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 12' ' ' LEU . 7.7 mt -125.89 -174.81 3.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.436 ' C ' HG21 ' A' ' 56' ' ' VAL . 3.1 p-10 -174.79 155.62 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.87 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -37.43 -47.34 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.25 -55.5 15.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.075 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.41 -59.62 9.35 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.089 HD23 HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -55.26 -36.98 66.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.704 HG22 HD11 ' A' ' 86' ' ' LEU . 1.7 m -62.94 -52.67 62.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.424 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.42 ' HA ' HD13 ' A' ' 86' ' ' LEU . 8.4 t -40.75 -50.62 3.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.041 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.68 ' HG ' HD11 ' A' ' 51' ' ' LEU . 3.9 tp -57.47 -57.28 13.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.822 ' HA ' HD13 ' A' ' 51' ' ' LEU . 19.7 tp -41.72 -48.28 4.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.502 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 4.1 p -41.38 -52.23 3.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 110.025 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 3.6 mt-10 -63.5 -34.9 78.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.909 ' HG3' HD12 ' A' ' 51' ' ' LEU . 3.5 mmtt -61.6 -43.95 97.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.678 HG23 ' HG ' ' A' ' 42' ' ' LEU . 5.0 mt -73.02 -47.82 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.515 ' HD2' ' CD2' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -56.18 -37.11 69.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 23' ' ' GLU . 1.4 mm-40 -66.77 -42.36 86.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.573 ' CE1' ' HE3' ' A' ' 32' ' ' LYS . 83.6 t80 -54.69 -28.85 50.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 33' ' ' LYS . 9.7 mt -71.07 -48.75 50.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -64.56 -11.93 39.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -93.76 -47.05 6.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.573 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 14.5 mmtp -83.02 -10.71 58.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER 48.47 61.72 2.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.464 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -112.01 158.57 19.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 111.054 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -109.73 -0.75 18.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.253 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.418 ' CB ' HD11 ' A' ' 103' ' ' LEU . 0.3 OUTLIER -166.6 150.71 7.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.972 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.638 ' O ' HD22 ' A' ' 103' ' ' LEU . 43.6 p90 -174.06 -175.41 1.03 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.956 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.945 ' CZ ' HD23 ' A' ' 103' ' ' LEU . 82.9 m-85 -130.16 145.61 51.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.678 ' HA ' HD23 ' A' ' 42' ' ' LEU . 1.8 tt0 -52.48 -29.39 24.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.445 ' O ' HG23 ' A' ' 44' ' ' THR . 3.9 pt20 -71.94 -13.48 61.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.318 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.458 ' C ' HD22 ' A' ' 42' ' ' LEU . 5.9 mm-40 -83.66 -10.26 58.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.827 ' N ' HD22 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -103.1 -23.63 13.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.505 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 3.6 mm-40 -66.65 -23.59 66.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 40' ' ' GLN . 9.0 p -82.16 -17.31 46.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.455 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.848 ' HB ' HD12 ' A' ' 48' ' ' LEU . 38.4 t -81.07 111.11 17.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -52.86 -62.52 1.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.5 m -38.79 -30.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.082 . . . . 0.0 109.976 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.848 HD12 ' HB ' ' A' ' 45' ' ' VAL . 88.8 mt -84.36 -56.99 3.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -47.53 -44.17 25.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.245 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.405 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 4.9 t -53.6 -21.15 6.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.983 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.909 HD12 ' HG3' ' A' ' 24' ' ' LYS . 0.6 OUTLIER -98.45 -54.37 3.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.808 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -65.88 -4.94 7.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 49' ' ' GLN . 40.2 p -111.73 -14.95 13.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.995 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 1.8 mtt180 -47.98 157.87 0.6 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.641 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.01 169.51 22.47 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.45 1.763 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 1.089 HG11 HD23 ' A' ' 17' ' ' LEU . 0.9 OUTLIER 166.43 150.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.247 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 57' ' ' THR . 4.4 t -46.49 99.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 110.392 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -117.56 172.78 7.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.588 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.2 p -158.81 152.63 23.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.585 1.178 . . . . 0.0 109.979 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.0 t -42.3 143.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.87 -149.78 5.13 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.58 -57.42 2.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 110.026 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 46.15 58.13 4.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -95.29 106.23 18.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.4 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -112.55 -170.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 65' ' ' VAL . 7.5 mt-10 -143.21 35.01 1.34 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.2 mp -100.07 -81.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.14 179.32 6.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -128.39 124.86 37.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.2 t -176.05 -60.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.958 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 133.63 56.26 0.07 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.559 1.162 . . . . 0.0 111.002 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.421 ' O ' ' CB ' ' A' ' 73' ' ' SER . 14.9 t -173.18 165.36 4.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 110.398 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 72' ' ' THR . 2.4 m 79.42 -58.8 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.033 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -49.2 -27.09 7.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.574 HG13 ' N ' ' A' ' 76' ' ' ALA . 11.3 p -71.6 -56.0 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.574 ' N ' HG13 ' A' ' 75' ' ' VAL . . . -60.68 -24.05 65.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -64.15 -28.26 69.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.553 ' HG2' HG23 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -81.12 -26.44 36.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.699 HG13 ' OG1' ' A' ' 18' ' ' THR . 6.5 t -88.53 -35.04 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.516 ' CE2' ' HB3' ' A' ' 52' ' ' ALA . 1.9 m-85 -70.6 -51.82 25.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.142 . . . . 0.0 110.967 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 82' ' ' ASN . 0.3 OUTLIER -55.6 -38.62 69.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.655 ' HB3' HG21 ' A' ' 18' ' ' THR . 6.8 m120 -68.35 -40.07 81.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.502 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -51.77 -58.07 7.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.634 HD13 HD12 ' A' ' 87' ' ' LEU . 3.6 mm? -50.44 -51.43 46.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.64 -61.57 1.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.704 HD11 HG22 ' A' ' 18' ' ' THR . 1.3 mt -45.66 -51.38 12.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.634 HD12 HD13 ' A' ' 84' ' ' LEU . 49.3 mt -46.97 -42.72 18.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.763 ' OE1' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -65.68 -29.12 69.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.291 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 86' ' ' LEU . 0.7 OUTLIER -75.86 -25.4 56.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.541 ' HB2' HD12 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -89.7 -30.18 18.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 106.36 9.07 32.17 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.525 1.141 . . . . 0.0 111.043 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.577 HD13 HD22 ' A' ' 87' ' ' LEU . 2.0 mt -67.39 -46.9 71.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.763 HG23 ' OE1' ' A' ' 88' ' ' GLN . 3.2 m -132.08 178.1 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.576 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 20.4 p90 -163.53 156.76 18.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -119.92 133.68 55.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -108.23 -53.12 2.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -57.86 -22.08 46.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.2 m 62.08 131.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 110.018 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 136.39 144.27 4.81 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 t -54.47 -58.54 7.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.006 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -85.01 67.39 10.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -130.61 168.2 17.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.945 HD23 ' CZ ' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -77.66 125.38 29.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.787 ' N ' HD13 ' A' ' 103' ' ' LEU . 26.6 m-85 -91.69 110.98 22.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 111.049 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.872 ' CD1' HD12 ' A' ' 103' ' ' LEU . 22.5 m-30 -81.35 127.27 32.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.951 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.5 p -95.78 147.19 6.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.6 t -40.92 154.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -152.28 -45.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.377 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.78 68.54 1.47 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 112' ' ' ASP . 19.3 t70 -157.35 158.27 35.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.463 ' CD ' ' O ' ' A' ' 111' ' ' LYS . 0.0 OUTLIER -40.5 98.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 110' ' ' ASP . 6.5 m-20 -164.93 -44.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 112' ' ' ASP . 1.5 mt 68.51 62.22 0.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.18 173.03 6.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.09 101.05 8.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 158.83 114.57 0.39 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -174.96 2.12 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.507 1.793 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.4 p -134.45 -71.35 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.042 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.0 p -153.35 -65.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.97 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.568 1.168 . . . . 0.0 110.996 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.2 t 63.11 144.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 0.762 . . . . 0.0 109.972 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 t -175.06 147.32 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.028 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.32 -134.3 4.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.38 158.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 0.744 . . . . 0.0 110.018 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -114.35 -56.82 2.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.992 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.89 70.1 0.22 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -164.13 -53.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 109.313 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.97 120.67 9.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -159.94 117.42 2.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.33 179.15 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 12' ' ' LEU . 9.3 mt -123.72 178.24 5.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.452 ' C ' HG21 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -163.11 151.0 13.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.494 ' CD2' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -38.75 -32.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 13' ' ' ASP . . . -84.31 -48.22 9.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -58.47 -54.54 36.88 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.533 1.145 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.026 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -62.45 -28.24 69.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.455 HG21 ' HB3' ' A' ' 82' ' ' ASN . 0.9 OUTLIER -66.73 -55.47 14.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.367 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.4 t -41.41 -46.17 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.988 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.045 HD13 HD11 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -62.07 -54.78 36.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.842 ' CD2' ' HB2' ' A' ' 52' ' ' ALA . 30.9 tp -48.6 -47.53 39.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.504 ' O ' HD21 ' A' ' 87' ' ' LEU . 6.1 p -39.98 -54.62 2.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.003 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.93 -38.29 81.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.763 ' HG3' HD12 ' A' ' 51' ' ' LEU . 7.7 mmtt -57.82 -39.59 77.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.569 HG23 ' CD1' ' A' ' 42' ' ' LEU . 4.1 mt -72.96 -52.02 24.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.505 ' HB2' ' HG ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -55.33 -35.77 65.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -71.74 -35.02 69.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.083 . . . . 0.0 110.301 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.595 ' CE2' ' HG3' ' A' ' 32' ' ' LYS . 69.9 t80 -62.38 -39.08 92.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.497 HD21 ' CE2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -58.38 -52.88 63.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -65.44 -11.82 46.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -90.89 -39.3 12.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.595 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 20.0 mmtp -90.02 -13.83 35.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 56.69 65.11 1.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.456 ' CE ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -125.82 157.28 37.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 110.955 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -116.51 10.62 14.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.3 p -166.85 145.95 5.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.977 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.752 ' CE1' HD11 ' A' ' 42' ' ' LEU . 30.0 p90 -178.1 163.81 1.75 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 111.048 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 1.009 ' CE2' HD23 ' A' ' 103' ' ' LEU . 48.5 m-85 -114.61 163.83 14.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -62.54 -26.63 68.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.452 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 10.4 pt20 -73.7 -43.77 58.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.34 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.452 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 4.6 mm-40 -56.08 -18.64 10.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.752 HD11 ' CE1' ' A' ' 37' ' ' PHE . 11.2 mt -103.15 -17.74 15.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.426 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 12.1 mm-40 -68.09 -8.54 38.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.7 p -105.12 -2.11 24.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.408 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.467 HG23 ' HA ' ' A' ' 42' ' ' LEU . 53.2 t -86.13 107.65 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -54.25 -63.51 1.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.5 OUTLIER -38.06 -31.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.994 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.515 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 14.1 mt -84.37 -60.52 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.559 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.0 mt-30 -46.39 -47.34 18.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.62 -23.15 1.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.942 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 1.045 HD11 HD13 ' A' ' 20' ' ' LEU . 1.3 tt -98.83 -55.09 2.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.107 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.842 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -64.4 -5.92 6.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.559 ' N ' ' O ' ' A' ' 49' ' ' GLN . 22.7 t -107.24 -20.32 13.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.079 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.501 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -42.08 157.42 0.22 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.243 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.675 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.02 169.87 21.67 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.799 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 1.0 HG11 HD23 ' A' ' 17' ' ' LEU . 0.8 OUTLIER 165.42 150.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.451 HG23 ' O ' ' A' ' 57' ' ' THR . 2.2 t -64.74 81.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.395 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -64.24 172.05 2.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.589 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.47 ' O ' ' C ' ' A' ' 60' ' ' THR . 14.3 t -164.18 -64.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.023 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 59' ' ' SER . 33.3 p 32.53 -142.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.384 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.74 76.74 1.34 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.82 112.81 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 62.85 123.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 66' ' ' GLU . 24.4 mt-30 -80.46 51.81 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.307 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.647 HG22 ' HB2' ' A' ' 67' ' ' LEU . 7.6 p -40.49 97.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 64' ' ' GLN . 1.0 OUTLIER -74.31 60.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.647 ' HB2' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -111.9 75.81 0.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.093 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 58.96 109.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -151.68 125.23 8.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.21 87.29 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.994 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.01 -110.05 1.17 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.3 t -68.33 173.62 4.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 110.375 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 t 73.22 -64.3 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.977 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.62 -26.39 2.59 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.57 HG13 ' N ' ' A' ' 76' ' ' ALA . 10.6 p -70.16 -54.65 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.57 ' N ' HG13 ' A' ' 75' ' ' VAL . . . -62.04 -26.47 68.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -58.88 -21.25 56.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' A' ' 75' ' ' VAL . 7.7 ptp180 -89.65 -33.36 16.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.253 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.528 HG23 ' HG2' ' A' ' 78' ' ' ARG . 3.7 t -81.75 -32.56 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.493 ' CE2' ' HB3' ' A' ' 52' ' ' ALA . 2.0 m-85 -69.36 -45.31 69.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -39.25 90.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.455 ' HB3' HG21 ' A' ' 18' ' ' THR . 73.6 m-20 -69.36 -45.38 69.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.94 -43.52 69.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.532 ' CD2' HG21 ' A' ' 25' ' ' ILE . 47.6 mt -62.52 -33.53 75.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.65 -55.73 30.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.564 ' H ' HD22 ' A' ' 86' ' ' LEU . 3.1 mm? -49.96 -43.64 50.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.504 HD21 ' O ' ' A' ' 22' ' ' SER . 5.4 mt -54.19 -51.34 64.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.446 ' HG2' HG23 ' A' ' 93' ' ' VAL . 9.4 mt-30 -57.32 -19.38 22.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -93.67 -29.08 15.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.632 ' HB2' HD23 ' A' ' 92' ' ' LEU . 1.3 mttm -83.34 -14.11 53.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.66 7.65 61.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.632 HD23 ' HB2' ' A' ' 90' ' ' LYS . 4.1 mm? -64.54 -56.07 16.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.248 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.446 HG23 ' HG2' ' A' ' 88' ' ' GLN . 2.8 m -124.18 -180.0 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.503 ' CE1' ' HB2' ' A' ' 105' ' ' TYR . 12.7 p90 -161.46 145.02 12.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -105.55 125.36 50.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.289 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -82.55 -50.91 8.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.53 111.4 24.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.11 134.9 17.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 150.94 133.51 2.07 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.469 1.106 . . . . 0.0 111.03 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 m -81.8 56.32 3.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 0.772 . . . . 0.0 109.977 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.9 t0 178.75 49.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -127.96 156.46 42.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 1.009 HD23 ' CE2' ' A' ' 38' ' ' TYR . 1.1 tm? -61.96 122.17 14.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.724 ' N ' HD13 ' A' ' 103' ' ' LEU . 81.1 m-85 -83.15 105.27 13.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.822 ' CD1' HD12 ' A' ' 103' ' ' LEU . 36.4 m-85 -84.72 135.58 34.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -80.59 164.9 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.468 HG23 ' OG1' ' A' ' 108' ' ' THR . 8.7 t -73.58 -44.56 56.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 110.405 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.468 ' OG1' HG23 ' A' ' 107' ' ' THR . 0.0 OUTLIER -165.51 148.87 8.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 110.416 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 108' ' ' THR . 0.1 OUTLIER 168.6 50.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.436 ' CG ' ' N ' ' A' ' 111' ' ' LYS . 1.5 t70 -72.11 167.48 20.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.436 ' N ' ' CG ' ' A' ' 110' ' ' ASP . 5.5 mmtm 68.84 156.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 59.57 65.99 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.9 tp 178.35 145.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 0.0 109.304 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.09 104.92 2.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -164.75 -62.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.483 1.115 . . . . 0.0 110.006 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 110.15 119.88 4.12 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 111.076 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -57.1 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.481 1.78 . . . . 0.0 110.982 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 81.1 p -167.44 168.75 12.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 110.034 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 25.7 p -65.32 111.2 2.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.054 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 t -178.9 143.11 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.4 p -174.28 141.43 0.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.962 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.04 116.84 0.19 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 110.958 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 p -174.62 167.25 3.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.767 . . . . 0.0 110.013 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.0 p 42.7 88.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.75 128.66 1.08 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.55 1.156 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -146.76 99.25 3.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 0.795 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -173.68 120.86 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -150.12 -65.32 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 67.77 170.71 0.27 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 12' ' ' LEU . 9.1 mt -124.32 -178.78 4.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.524 ' C ' HG21 ' A' ' 56' ' ' VAL . 0.5 OUTLIER -164.93 153.45 12.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.542 ' CD2' HG22 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -37.43 -37.82 0.21 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.41 ' O ' ' HB ' ' A' ' 18' ' ' THR . . . -75.83 -50.75 14.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.234 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -57.19 -56.58 24.3 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.07 HD23 HG11 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -58.77 -29.87 67.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.701 HG21 ' HB3' ' A' ' 82' ' ' ASN . 1.0 OUTLIER -66.9 -56.14 11.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 18' ' ' THR . 29.0 t -38.67 -38.5 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 tp -70.41 -58.88 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.808 HD23 HG12 ' A' ' 79' ' ' VAL . 6.8 tp -41.15 -44.58 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.873 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -44.77 -48.57 10.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.566 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . 4.8 mt-10 -67.55 -27.65 67.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.936 ' HG3' HD22 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -71.51 -40.29 70.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.769 HD11 ' CD1' ' A' ' 80' ' ' PHE . 3.2 mt -75.82 -44.51 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.566 ' CE ' ' HA ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -60.21 -39.75 87.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.529 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 4.6 mm-40 -67.41 -45.31 76.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.338 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.824 ' CE1' HG21 ' A' ' 45' ' ' VAL . 82.3 t80 -48.29 -34.68 10.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.956 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.803 HD21 ' CZ ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -61.62 -47.76 83.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -71.32 -13.13 61.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -90.07 -39.71 12.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.587 ' HG3' ' CZ ' ' A' ' 28' ' ' PHE . 51.6 mmtt -89.19 -13.53 38.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt 55.09 58.71 4.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.497 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -117.52 158.8 23.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -112.9 2.54 15.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.343 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.3 p -166.6 148.94 6.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.803 ' CZ ' HD21 ' A' ' 29' ' ' LEU . 14.3 p90 -177.83 -178.23 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.066 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.987 ' CZ ' HD23 ' A' ' 103' ' ' LEU . 90.6 m-85 -128.23 147.82 50.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.72 ' HA ' HD23 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -53.18 -19.49 3.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.254 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -80.05 -14.19 58.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.418 ' C ' HD22 ' A' ' 42' ' ' LEU . 18.1 mm-40 -83.29 -10.38 58.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.276 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.885 ' N ' HD22 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -106.25 -22.5 12.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.442 ' O ' ' CD ' ' A' ' 49' ' ' GLN . 2.4 mm-40 -64.86 -18.55 65.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.1 p -96.19 -10.4 28.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 110.389 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.824 HG21 ' CE1' ' A' ' 28' ' ' PHE . 76.9 t -80.47 95.25 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.44 -52.33 10.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 73.9 m -48.18 -24.2 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.995 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' ' 42' ' ' LEU . 61.0 mt -95.01 -57.08 2.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.496 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -43.37 -42.81 4.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.71 -24.51 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.013 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.936 HD22 ' HG3' ' A' ' 24' ' ' LYS . 2.3 tp -98.28 -49.23 4.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.539 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -64.35 -7.08 8.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 49' ' ' GLN . 35.0 t -109.33 -20.68 12.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.967 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.7 OUTLIER -44.36 159.55 0.25 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.289 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.584 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.1 Cg_endo -75.06 167.92 25.94 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 1.07 HG11 HD23 ' A' ' 17' ' ' LEU . 1.4 p 165.51 151.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.1 t -100.15 145.51 27.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.402 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -170.62 -176.37 2.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.601 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.99 92.35 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.998 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.8 t -150.9 177.13 10.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.413 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -111.72 -148.12 10.88 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.525 1.14 . . . . 0.0 111.045 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.9 m -168.37 176.26 5.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 110.023 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.95 169.67 9.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -106.16 50.64 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.523 ' O ' HG12 ' A' ' 65' ' ' VAL . 71.1 t -120.45 55.81 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.88 113.97 12.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.257 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.514 HD23 ' H ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -108.49 52.55 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -149.87 171.63 16.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.19 167.2 10.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.1 m -129.02 160.53 32.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.962 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 134.48 105.53 0.86 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.3 p 40.9 60.17 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 0.732 . . . . 0.0 110.42 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.23 -47.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 110.011 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.514 ' O ' ' CZ ' ' A' ' 78' ' ' ARG . . . -57.11 -31.18 61.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.52 1.137 . . . . 0.0 111.041 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.575 HG13 ' N ' ' A' ' 76' ' ' ALA . 13.2 p -63.91 -56.25 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.575 ' N ' HG13 ' A' ' 75' ' ' VAL . . . -50.54 -31.86 16.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -64.41 -22.83 67.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.514 ' CZ ' ' O ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -86.32 -30.81 21.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.808 HG12 HD23 ' A' ' 21' ' ' LEU . 25.5 t -80.53 -41.72 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.769 ' CD1' HD11 ' A' ' 25' ' ' ILE . 2.1 m-85 -66.02 -59.55 3.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.77 -35.8 23.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.701 ' HB3' HG21 ' A' ' 18' ' ' THR . 78.4 m-20 -67.56 -45.81 74.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.873 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -47.83 -56.38 7.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.559 ' HG ' ' CD2' ' A' ' 104' ' ' TYR . 3.0 mm? -50.55 -49.76 55.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.94 -57.58 4.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.349 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.525 HD11 HG22 ' A' ' 18' ' ' THR . 1.0 OUTLIER -56.97 -47.57 80.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.597 HD13 ' HB2' ' A' ' 22' ' ' SER . 0.0 OUTLIER -46.74 -49.77 19.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -57.83 -39.45 77.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -64.98 -32.28 73.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.435 ' NZ ' ' HB3' ' A' ' 86' ' ' LEU . 5.2 mttp -83.83 -27.34 28.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.17 11.74 33.24 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.466 1.104 . . . . 0.0 110.965 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 87' ' ' LEU . 4.1 mt -68.22 -41.84 80.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.789 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 105' ' ' TYR . 2.9 m -135.83 178.12 5.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 18.9 p90 -161.58 148.47 14.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -108.6 139.43 43.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.564 ' HG3' ' CE2' ' A' ' 105' ' ' TYR . 19.7 mtm180 -109.58 38.99 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.68 108.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.41 107.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.056 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -167.41 170.58 41.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.463 1.102 . . . . 0.0 111.045 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.34 -19.34 20.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.756 . . . . 0.0 110.035 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.3 89.64 2.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.0 mmtm -136.69 178.35 7.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.987 HD23 ' CZ ' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -80.37 122.72 27.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.752 ' N ' HD13 ' A' ' 103' ' ' LEU . 30.4 m-85 -89.99 91.1 8.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.654 ' CD1' HD12 ' A' ' 103' ' ' LEU . 63.4 m-85 -70.87 116.97 11.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.415 ' H ' HG12 ' A' ' 106' ' ' VAL . 1.2 p -75.73 156.14 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 92' ' ' LEU . 2.2 t -52.39 147.55 7.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.399 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.4 t -117.32 167.11 11.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.4 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 110' ' ' ASP . 0.0 OUTLIER -39.58 138.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 109' ' ' LYS . 1.3 t70 81.5 92.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.84 -171.94 3.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -157.31 162.96 39.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.3 mp -50.53 104.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.246 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -178.75 122.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 96.4 p 179.78 171.39 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.017 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -159.55 176.15 36.34 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 139.78 24.68 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.442 1.759 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 61.2 p 178.44 -57.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.65 57.73 1.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.957 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 t -161.07 145.75 13.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 110.008 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 t -179.4 148.91 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.08 176.56 15.54 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.3 p -48.59 176.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 0.74 . . . . 0.0 110.011 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.6 p -123.53 66.41 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.001 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.22 -166.24 0.29 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -177.39 135.32 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.2 ttmt 62.11 137.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -136.14 -46.05 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 59.25 156.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.353 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 12' ' ' LEU . 3.2 mt -116.93 178.97 4.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.743 ' OD2' ' HB3' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -179.48 155.82 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.674 HD11 ' OD1' ' A' ' 82' ' ' ASN . 6.0 tp -36.08 -33.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.743 ' HB3' ' OD2' ' A' ' 13' ' ' ASP . . . -78.7 -55.33 5.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -60.17 -43.86 97.97 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.91 HD12 HG11 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -60.65 -27.89 68.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 0.783 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.637 HG23 ' HA ' ' A' ' 83' ' ' ALA . 1.3 m -76.91 -55.5 5.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.362 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.4 t -43.39 -39.98 3.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.968 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.895 ' HG ' HD11 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -71.26 -65.43 0.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.963 ' CD1' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -41.34 -52.7 3.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . 1.072 ' O ' HD21 ' A' ' 87' ' ' LEU . 45.4 p -37.97 -34.99 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 110.032 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 20' ' ' LEU . 5.7 mm-40 -80.55 -43.25 20.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.978 ' HG3' HD12 ' A' ' 51' ' ' LEU . 1.7 mmpt? -58.65 -51.21 70.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.963 HD11 ' CD1' ' A' ' 21' ' ' LEU . 5.2 mt -57.16 -51.06 74.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.466 ' HD2' ' CD2' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -56.98 -40.32 76.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -60.73 -41.45 95.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.311 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.734 ' CE2' HG21 ' A' ' 45' ' ' VAL . 23.5 t80 -53.71 -47.84 70.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.546 ' O ' ' N ' ' A' ' 33' ' ' LYS . 8.1 mt -51.67 -47.16 63.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -65.19 -19.09 65.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -88.38 -48.69 7.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.587 ' HG3' ' CZ ' ' A' ' 28' ' ' PHE . 3.5 mmmt -81.39 -15.31 55.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' A' ' 29' ' ' LEU . 23.0 mmtt 49.34 65.12 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.53 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -112.54 174.72 5.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.953 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -123.26 -2.6 8.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.456 ' HB2' HD11 ' A' ' 103' ' ' LEU . 0.2 OUTLIER -166.26 155.53 11.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.036 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.865 ' CE1' HD11 ' A' ' 42' ' ' LEU . 34.6 p90 -175.73 169.61 2.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.964 ' CE2' HD23 ' A' ' 103' ' ' LEU . 39.8 m-85 -117.38 160.24 21.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -60.66 -30.32 69.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.344 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.414 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 11.1 pt20 -74.61 -41.48 60.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.414 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 9.2 mm-40 -58.9 -14.9 10.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.257 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.897 HD13 HG23 ' A' ' 25' ' ' ILE . 9.2 mt -99.35 -23.57 15.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.46 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 23.7 mt-10 -63.31 -15.95 58.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.7 p -100.79 -2.41 32.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.734 HG21 ' CE2' ' A' ' 28' ' ' PHE . 92.2 t -87.69 91.46 3.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.08 -52.0 12.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.6 m -43.82 -27.56 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.989 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.439 ' HG ' ' CG1' ' A' ' 45' ' ' VAL . 24.5 mt -94.4 -59.76 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.633 ' O ' ' N ' ' A' ' 53' ' ' SER . 13.1 mm-40 -44.42 -48.38 9.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.06 -22.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.978 HD12 ' HG3' ' A' ' 24' ' ' LYS . 0.8 OUTLIER -98.58 -66.32 0.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.744 ' HB2' ' CD1' ' A' ' 21' ' ' LEU . . . -54.28 -38.38 65.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.633 ' N ' ' O ' ' A' ' 49' ' ' GLN . 8.5 t -61.38 -24.07 66.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.029 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.563 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 44.2 mtt180 -45.97 153.69 0.64 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.654 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.97 171.23 18.72 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.52 1.8 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.91 HG11 HD12 ' A' ' 17' ' ' LEU . 0.9 OUTLIER 166.38 152.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 56' ' ' VAL . 82.0 p -36.26 110.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.44 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.971 ' CE1' HG13 ' A' ' 75' ' ' VAL . 1.3 m-70 -146.98 -174.87 4.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.633 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.7 t -174.34 149.0 1.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.969 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 53.3 m -66.34 139.8 58.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.2 143.73 2.22 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.59 -60.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 0.0 110.009 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.49 137.94 54.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -65.14 82.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.9 p -160.08 136.31 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.408 ' O ' ' CG ' ' A' ' 66' ' ' GLU . 4.7 pt-20 -128.0 96.54 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.4 173.28 7.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -44.77 156.09 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 57.93 167.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.31 171.61 16.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.027 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.72 -123.63 6.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.418 1.074 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 72' ' ' THR . 10.2 t -78.04 55.89 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.744 . . . . 0.0 110.361 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.5 m -140.82 65.01 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . -167.4 -40.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.105 . . . . 0.0 111.024 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.971 HG13 ' CE1' ' A' ' 58' ' ' HIS . 59.6 t -48.45 -66.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -47.42 -49.76 24.34 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.43 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 1.9 mp0 -47.01 -27.52 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.343 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.467 ' HA ' ' CD ' ' A' ' 81' ' ' LYS . 44.4 mtt85 -87.27 -43.82 11.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.584 HG11 HD22 ' A' ' 17' ' ' LEU . 12.4 t -66.46 -32.29 57.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.441 ' CE2' ' HA ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -74.12 -46.64 41.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 110.949 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.467 ' CD ' ' HA ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -66.95 -38.85 86.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.674 ' OD1' HD11 ' A' ' 14' ' ' LEU . 18.8 m120 -71.66 -47.23 55.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.637 ' HA ' HG23 ' A' ' 18' ' ' THR . . . -52.17 -42.67 63.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.435 ' CD2' HG21 ' A' ' 25' ' ' ILE . 34.7 mt -61.01 -35.51 77.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.78 -55.14 38.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -46.18 -38.9 8.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.072 HD21 ' O ' ' A' ' 22' ' ' SER . 61.9 mt -66.89 -43.16 84.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.472 ' HG2' HG23 ' A' ' 93' ' ' VAL . 10.3 mt-30 -66.78 -15.58 63.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -92.33 -26.49 18.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.493 ' HB2' HD12 ' A' ' 92' ' ' LEU . 1.2 mttm -87.06 -29.75 21.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 107.39 10.58 27.16 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.721 HD13 HD22 ' A' ' 87' ' ' LEU . 2.4 mt -70.89 -45.5 64.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.472 HG23 ' HG2' ' A' ' 88' ' ' GLN . 2.8 m -128.23 172.96 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.59 ' CE2' ' CB ' ' A' ' 105' ' ' TYR . 8.2 p90 -162.18 143.67 10.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -111.1 118.17 35.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.2 mmp_? -87.16 51.4 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 166.57 100.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 m -55.39 102.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.969 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -179.07 134.09 2.23 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.6 m -81.23 52.89 1.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 110.049 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -177.28 37.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -117.53 179.33 4.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.975 HD12 ' CE1' ' A' ' 105' ' ' TYR . 1.7 tm? -86.03 132.62 34.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.84 ' N ' HD13 ' A' ' 103' ' ' LEU . 64.4 m-85 -93.53 117.72 30.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.975 ' CE1' HD12 ' A' ' 103' ' ' LEU . 23.0 m-30 -92.29 135.56 33.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.511 ' HB ' HD13 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -100.56 149.07 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 4.7 t -50.46 142.35 10.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.389 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.6 t -122.91 -178.23 3.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 110.388 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -72.4 93.56 1.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.86 174.8 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.12 110.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -167.12 152.91 7.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.6 tp -47.86 -72.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -167.72 79.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.255 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.1 t -110.1 158.45 18.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.014 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 170.64 97.72 0.11 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 0.0 110.96 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.63 42.72 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.4 p -111.41 119.38 38.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.002 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.7 t -174.92 116.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.031 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.554 1.159 . . . . 0.0 110.968 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.43 168.08 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 109.973 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -146.28 142.9 28.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.082 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.63 165.77 25.58 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.24 156.91 25.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 0.0 109.975 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.95 160.24 0.52 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.82 68.49 0.4 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.525 1.141 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -164.99 -174.14 3.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 0.799 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.63 65.54 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 45.97 86.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.365 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.75 175.94 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 12' ' ' LEU . 9.6 mt -132.37 178.26 6.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -167.69 152.24 6.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.858 HD21 HG22 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -38.38 -31.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.446 ' N ' ' C ' ' A' ' 13' ' ' ASP . . . -82.92 -49.54 9.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -60.5 -54.21 39.07 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.011 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -58.74 -35.32 72.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.769 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.2 m -64.85 -54.52 29.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.407 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 18' ' ' THR . 10.5 t -38.17 -35.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.989 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.697 ' HG ' HD11 ' A' ' 51' ' ' LEU . 2.2 tp -74.7 -58.77 3.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.886 ' HA ' HD13 ' A' ' 51' ' ' LEU . 46.2 tp -40.31 -49.71 2.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.167 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.611 ' OG ' HD13 ' A' ' 86' ' ' LEU . 0.9 OUTLIER -43.12 -55.19 4.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.45 -33.39 72.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.878 ' HG3' HD12 ' A' ' 51' ' ' LEU . 4.2 mmtt -63.88 -38.61 91.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.613 HG21 HD21 ' A' ' 84' ' ' LEU . 3.6 mt -73.41 -45.89 50.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.492 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -58.47 -37.98 76.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.492 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 3.4 mm-40 -68.48 -42.92 77.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.592 ' CZ ' ' HG3' ' A' ' 32' ' ' LYS . 73.6 t80 -50.11 -50.65 47.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 111.045 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.687 HD21 ' CE1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -47.04 -45.54 21.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -67.14 -26.0 66.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.33 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 28' ' ' PHE . 2.9 tp10 -77.27 -44.32 30.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.592 ' HG3' ' CZ ' ' A' ' 28' ' ' PHE . 3.1 mmmt -83.17 -20.9 33.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.9 OUTLIER 61.14 62.59 1.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.568 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -120.51 174.79 6.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -125.35 1.95 7.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.3 p -166.84 151.11 7.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.004 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.687 ' CE1' HD21 ' A' ' 29' ' ' LEU . 37.0 p90 -177.04 162.13 1.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 1.088 ' CE1' HD12 ' A' ' 103' ' ' LEU . 63.5 m-85 -112.61 152.95 28.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -53.38 -39.29 64.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -60.83 -35.64 77.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -67.35 -14.98 63.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.673 HD11 ' CE2' ' A' ' 37' ' ' PHE . 12.3 mt -105.77 -20.8 13.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.423 ' O ' ' CD ' ' A' ' 49' ' ' GLN . 27.4 mt-10 -61.78 -13.2 21.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.7 p -101.41 -3.18 29.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.417 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.515 HG23 ' HA ' ' A' ' 42' ' ' LEU . 59.4 t -85.85 109.04 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -56.05 -58.96 5.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.8 m -38.83 -35.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.612 HD12 ' HB3' ' A' ' 42' ' ' LEU . 17.5 mt -83.04 -59.56 2.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.567 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.3 OUTLIER -46.36 -48.1 18.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.47 -23.81 2.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.886 HD13 ' HA ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -98.06 -55.42 2.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.836 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -63.74 -7.58 8.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.567 ' N ' ' O ' ' A' ' 49' ' ' GLN . 21.9 t -108.22 -19.79 13.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -41.95 158.34 0.2 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.652 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -75.09 169.4 22.65 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.536 1.808 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 1.004 HG11 HD23 ' A' ' 17' ' ' LEU . 0.8 OUTLIER 166.65 149.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.5 t -93.18 125.25 37.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 110.393 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -167.4 -51.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.584 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.3 m 59.3 115.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 110.015 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.0 p -51.79 173.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.378 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -111.17 -69.59 0.58 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 64' ' ' GLN . 6.9 m -158.03 -49.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 109.979 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.564 ' HB3' HG12 ' A' ' 65' ' ' VAL . 0.6 OUTLIER 65.31 -74.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.499 ' CB ' ' O ' ' A' ' 63' ' ' ASP . 2.9 tt0 85.56 53.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.564 HG12 ' HB3' ' A' ' 63' ' ' ASP . 2.7 p -139.36 124.89 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 66' ' ' GLU . 4.3 pt-20 -93.71 71.95 4.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.09 147.25 26.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm -52.84 107.75 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.1 p30 -173.35 179.46 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.47 172.06 12.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.32 -28.69 73.16 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.1 p -124.58 69.18 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 110.367 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 166.48 -30.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.424 1.078 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . -65.53 -33.72 87.11 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 78' ' ' ARG . 60.7 t -46.62 -50.25 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.775 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 52' ' ' ALA . . . -48.08 -44.35 31.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 7.2 mt-30 -61.88 -19.98 63.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.497 ' HG2' HD11 ' A' ' 14' ' ' LEU . 6.4 ttt180 -92.65 -16.28 25.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.858 HG22 HD21 ' A' ' 14' ' ' LEU . 25.3 t -94.75 -31.2 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -68.59 -45.57 71.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 82' ' ' ASN . 0.1 OUTLIER -64.96 -37.59 88.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.714 ' HB3' HG21 ' A' ' 18' ' ' THR . 40.2 m-20 -71.0 -37.55 72.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.54 -54.45 32.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.893 HD13 ' CD2' ' A' ' 104' ' ' TYR . 38.6 mt -55.4 -45.89 76.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.59 -59.18 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.631 HD12 ' O ' ' A' ' 82' ' ' ASN . 1.2 mp -48.66 -52.1 25.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.709 HD12 HD23 ' A' ' 84' ' ' LEU . 40.0 mt -44.54 -43.04 7.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -64.19 -31.62 72.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.262 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 86' ' ' LEU . 0.8 OUTLIER -76.49 -45.71 29.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.468 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 0.4 OUTLIER -67.53 -27.35 66.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.1 23.44 13.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.603 HD13 HD22 ' A' ' 87' ' ' LEU . 3.8 mt -83.63 -28.39 28.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.746 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.493 HG13 ' HB3' ' A' ' 87' ' ' LEU . 1.7 m -144.61 175.31 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 105' ' ' TYR . 17.5 p90 -161.78 147.69 13.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.652 ' NE2' ' CE1' ' A' ' 104' ' ' TYR . 3.1 mm100 -94.76 152.55 18.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -126.65 45.3 2.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.526 ' HB2' ' CE ' ' A' ' 102' ' ' LYS . 7.2 t0 -156.77 -68.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.0 t -179.42 32.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.602 ' HA2' ' NE2' ' A' ' 95' ' ' GLN . . . 52.77 -169.06 0.78 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 99' ' ' GLY . 0.3 OUTLIER 57.1 110.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.767 . . . . 0.0 110.022 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.3 t0 46.38 64.67 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.256 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.579 ' HB2' ' NE2' ' A' ' 95' ' ' GLN . 13.9 mmmt -124.68 -178.28 4.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 1.088 HD12 ' CE1' ' A' ' 38' ' ' TYR . 5.7 tt -62.47 -74.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.947 ' HB2' ' O ' ' A' ' 103' ' ' LEU . 29.5 m-85 103.2 73.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.753 ' CD1' HD22 ' A' ' 103' ' ' LEU . 92.7 m-85 -73.7 116.66 14.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.454 ' H ' HG12 ' A' ' 106' ' ' VAL . 1.4 p -64.97 151.7 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 92' ' ' LEU . 2.9 t -55.08 163.01 1.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.427 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.0 t -42.56 150.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 110.408 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.97 92.07 3.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -44.99 102.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -102.27 158.69 16.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 113' ' ' LEU . 8.4 m-20 -153.63 154.69 34.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 112' ' ' ASP . 33.1 tp -40.36 107.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -168.08 77.8 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 78.1 p 52.17 95.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 85.78 88.33 0.95 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -56.19 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.525 1.803 . . . . 0.0 111.038 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.81 170.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.973 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.7 t -175.68 88.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.007 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.36 147.71 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 0.736 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.95 -61.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.968 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.02 144.82 15.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 111.037 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 178.58 150.2 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 0.778 . . . . 0.0 109.984 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -168.46 143.09 3.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.15 147.75 7.28 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -77.0 -66.93 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 0.735 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.21 130.22 34.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -176.97 93.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.416 ' O ' ' O ' ' A' ' 12' ' ' LEU . 20.2 m120 -47.93 122.95 5.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.649 HD12 ' H ' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -61.12 -143.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.649 ' H ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER 179.76 140.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.08 HD21 HG22 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -37.88 -46.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.353 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.65 -45.95 70.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.599 ' HA3' ' CD1' ' A' ' 12' ' ' LEU . . . -60.27 -51.99 55.46 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.15 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.002 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -68.08 -28.06 67.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 0.787 . . . . 0.0 109.326 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.524 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 1.1 m -63.27 -56.19 18.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 110.423 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 18' ' ' THR . 21.0 t -38.3 -50.27 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.025 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.706 ' HG ' HD11 ' A' ' 51' ' ' LEU . 1.6 tp -57.17 -58.14 9.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.841 ' CD2' ' HB2' ' A' ' 52' ' ' ALA . 22.1 tp -43.44 -46.63 6.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.566 ' O ' HD21 ' A' ' 87' ' ' LEU . 3.3 p -43.98 -49.73 8.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.015 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 1.7 mm-40 -65.36 -32.39 74.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.786 ' HG3' HD12 ' A' ' 51' ' ' LEU . 3.7 mmtt -64.49 -43.36 94.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.746 HG21 HD21 ' A' ' 84' ' ' LEU . 4.8 mt -71.06 -45.69 70.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.477 ' HD2' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -59.5 -38.57 81.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 1.2 mm-40 -66.05 -41.34 90.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.716 ' CE1' HG21 ' A' ' 45' ' ' VAL . 81.6 t80 -55.45 -34.6 64.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.754 HD21 ' CZ ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -62.41 -51.05 69.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -65.8 -17.89 64.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -80.32 -49.61 11.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.604 ' HB2' ' SD ' ' A' ' 34' ' ' MET . 61.0 mmtt -83.55 -23.63 31.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' LEU . 4.5 mttt 60.12 66.49 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.626 ' SD ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -112.3 176.2 5.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -122.52 -6.6 8.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.317 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.421 ' HB2' HD11 ' A' ' 103' ' ' LEU . 6.2 p -168.56 146.51 4.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.754 ' CZ ' HD21 ' A' ' 29' ' ' LEU . 53.5 p90 -171.26 -177.18 2.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 1.028 ' CZ ' HD23 ' A' ' 103' ' ' LEU . 98.4 m-85 -125.41 150.13 47.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.415 1.072 . . . . 0.0 111.048 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.704 ' HA ' HD23 ' A' ' 42' ' ' LEU . 41.3 tt0 -53.94 -19.02 3.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.461 ' O ' HG23 ' A' ' 44' ' ' THR . 5.4 pt20 -79.09 -14.73 58.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.401 ' C ' HD22 ' A' ' 42' ' ' LEU . 18.0 mm-40 -82.92 -12.22 57.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 110.251 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.858 ' N ' HD22 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -106.56 -21.98 12.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.432 ' O ' ' CD ' ' A' ' 49' ' ' GLN . 1.7 mm-40 -66.88 -21.25 66.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 40' ' ' GLN . 44.5 p -85.42 -18.27 34.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.423 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.864 ' HB ' HD12 ' A' ' 48' ' ' LEU . 23.7 t -74.9 116.12 17.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 48' ' ' LEU . 1.0 OUTLIER -57.81 -64.56 0.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 46' ' ' GLU . 5.5 m -38.78 -29.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.864 HD12 ' HB ' ' A' ' 45' ' ' VAL . 92.9 mt -81.52 -60.09 2.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.552 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.7 OUTLIER -47.13 -45.57 22.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.312 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.05 -20.96 2.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.796 HD13 ' HA ' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -98.45 -54.65 2.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.841 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -67.02 -4.81 10.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.552 ' N ' ' O ' ' A' ' 49' ' ' GLN . 22.9 t -108.16 -14.65 14.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 2.7 mtt180 -47.03 155.75 0.61 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.662 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.99 168.69 24.28 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.925 HG11 HD23 ' A' ' 17' ' ' LEU . 1.3 p 162.63 151.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 t -85.6 135.49 33.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.373 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -176.73 -174.09 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.648 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 m -132.71 118.76 19.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.8 m -120.62 111.8 18.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -109.37 94.07 0.8 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.1 m -159.78 175.73 12.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 0.746 . . . . 0.0 109.983 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -176.39 -40.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 66' ' ' GLU . 19.4 mt-30 38.9 46.43 1.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.485 ' O ' HG13 ' A' ' 65' ' ' VAL . 7.6 p -38.56 98.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 64' ' ' GLN . 3.9 mt-10 -164.24 73.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 60.93 177.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.5 mmtm 65.76 155.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -69.15 -66.09 0.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.9 t 68.86 110.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -161.12 -105.38 0.2 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.7 t -76.53 -28.16 56.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 110.412 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.81 -33.97 75.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.957 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.514 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . -71.21 -45.26 50.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.457 ' HA ' ' CD ' ' A' ' 78' ' ' ARG . 61.4 t -44.67 -40.52 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.535 0.785 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.48 -42.41 98.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.514 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 8.2 mt-30 -53.22 -21.85 5.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.457 ' CD ' ' HA ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -86.25 -32.48 21.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.325 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 1.08 HG22 HD21 ' A' ' 14' ' ' LEU . 4.8 t -77.46 -37.77 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.501 ' CE2' ' HB3' ' A' ' 52' ' ' ALA . 5.5 m-85 -69.33 -48.39 61.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.42 -37.42 85.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.67 ' O ' HD12 ' A' ' 86' ' ' LEU . 98.1 m-20 -77.14 -26.34 53.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.492 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -71.03 -54.49 11.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.889 HD23 HD12 ' A' ' 87' ' ' LEU . 21.7 mt -55.98 -46.38 78.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.53 -57.49 1.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.67 HD12 ' O ' ' A' ' 82' ' ' ASN . 1.0 OUTLIER -52.8 -47.96 67.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.889 HD12 HD23 ' A' ' 84' ' ' LEU . 56.3 mt -48.63 -42.87 35.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.79 ' OE1' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -66.07 -26.23 67.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 86' ' ' LEU . 1.9 mm-40 -79.58 -26.21 41.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.245 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.4 -28.68 20.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 101.38 24.02 9.16 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.502 1.126 . . . . 0.0 111.052 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.488 HD13 HD22 ' A' ' 87' ' ' LEU . 4.9 mt -83.91 -41.76 17.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.79 HG23 ' OE1' ' A' ' 88' ' ' GLN . 1.0 OUTLIER -137.35 172.97 13.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.654 ' CE1' ' CB ' ' A' ' 105' ' ' TYR . 26.7 p90 -163.88 152.65 13.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.407 ' OE1' ' CE1' ' A' ' 104' ' ' TYR . 9.2 mt-30 -105.97 119.65 39.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.556 ' HG3' ' CE1' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -74.78 -51.82 13.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -89.79 127.5 35.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.66 148.16 20.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.988 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.454 ' CA ' ' HG3' ' A' ' 102' ' ' LYS . . . 126.43 151.96 7.97 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.3 t -68.09 -65.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 0.735 . . . . 0.0 109.993 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -76.58 61.71 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.454 ' HG3' ' CA ' ' A' ' 99' ' ' GLY . 17.9 mmtt -113.77 -179.23 3.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 1.028 HD23 ' CZ ' ' A' ' 38' ' ' TYR . 1.3 tm? -74.02 134.94 43.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.897 ' N ' HD13 ' A' ' 103' ' ' LEU . 63.9 m-85 -109.54 92.11 3.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 1.014 ' CD1' HD12 ' A' ' 103' ' ' LEU . 38.5 m-85 -71.08 142.05 50.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 111.008 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -101.55 155.81 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.756 ' O ' HG22 ' A' ' 108' ' ' THR . 11.8 t -75.23 151.8 38.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.756 HG22 ' O ' ' A' ' 107' ' ' THR . 14.5 t 51.03 175.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.406 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.41 -36.82 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.1 t0 44.46 80.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -162.94 -163.36 0.86 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 114' ' ' GLN . 3.4 m-20 -138.7 137.6 36.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 63.69 -79.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 112' ' ' ASP . 4.3 tm0? 71.28 117.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.16 . . . . 0.0 110.257 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.6 t -62.34 -179.81 0.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -102.08 119.29 6.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -175.72 2.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.521 1.8 . . . . 0.0 111.027 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.9 109.58 4.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.05 144.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.004 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -100.19 -58.67 1.86 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 0.746 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.7 p -172.81 85.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.021 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 41.31 -148.07 0.33 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.44 1.087 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.56 -58.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.742 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.99 154.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.031 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.46 155.53 8.33 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.461 1.101 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -105.84 94.38 5.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 0.747 . . . . 0.0 109.282 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 tttp -175.75 82.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -167.74 136.21 2.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -58.13 -174.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 12' ' ' LEU . 7.7 mt -129.17 179.83 5.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.439 ' C ' HG21 ' A' ' 56' ' ' VAL . 17.5 t70 -171.09 159.39 5.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.022 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -40.05 -43.38 1.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.2 -49.55 23.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.6 -58.54 11.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.135 . . . . 0.0 111.025 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.021 HD23 HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -60.26 -33.74 72.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 0.77 . . . . 0.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.991 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.2 m -63.73 -51.13 66.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.372 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 18' ' ' THR . 30.9 t -36.96 -37.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.026 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.737 ' HG ' HD11 ' A' ' 51' ' ' LEU . 3.1 tp -73.9 -55.47 6.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.858 HD23 HG12 ' A' ' 79' ' ' VAL . 7.2 tp -40.32 -49.02 2.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.701 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 1.3 p -37.72 -61.89 0.59 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.015 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.497 ' HB3' ' HZ3' ' A' ' 26' ' ' LYS . 4.7 mt-10 -55.89 -42.4 75.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 110.34 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.772 ' HG3' HD12 ' A' ' 51' ' ' LEU . 36.7 mmtt -53.39 -41.49 65.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.602 HG23 ' CD1' ' A' ' 42' ' ' LEU . 3.4 mt -73.05 -57.02 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.497 ' HZ3' ' HB3' ' A' ' 23' ' ' GLU . 0.6 OUTLIER -50.83 -36.14 35.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 23' ' ' GLU . 3.2 mm-40 -70.31 -39.89 74.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.435 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 53.4 t80 -57.42 -25.92 60.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.862 HD13 HG13 ' A' ' 106' ' ' VAL . 8.5 mt -75.34 -47.81 25.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -64.74 -11.19 33.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -94.22 -48.39 6.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.354 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.438 ' HB2' ' CG ' ' A' ' 34' ' ' MET . 62.3 mmtt -81.95 -13.36 57.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' LEU . 14.0 mmtt 52.5 62.67 2.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.438 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -114.71 171.67 7.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 110.988 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -131.45 9.87 4.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.7 p -167.4 143.2 4.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.985 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.708 ' CE1' HD11 ' A' ' 42' ' ' LEU . 14.1 p90 -177.63 161.79 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 1.045 ' CE2' HD23 ' A' ' 103' ' ' LEU . 58.5 m-85 -111.46 157.71 19.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.505 ' OE1' ' CB ' ' A' ' 81' ' ' LYS . 28.6 tt0 -61.0 -29.22 69.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.612 ' O ' HG23 ' A' ' 44' ' ' THR . 5.5 pt20 -70.76 -31.89 68.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.3 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 45' ' ' VAL . 4.6 mm-40 -68.34 -17.81 64.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.708 HD11 ' CE1' ' A' ' 37' ' ' PHE . 10.4 mt -101.87 -20.82 14.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.48 ' OE2' ' CD2' ' A' ' 80' ' ' PHE . 5.3 mm-40 -67.59 -24.35 65.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 40' ' ' GLN . 7.6 p -96.62 6.93 47.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.432 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.664 HG11 ' CD2' ' A' ' 48' ' ' LEU . 85.8 t -92.48 127.96 44.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 47' ' ' SER . 13.6 mm-40 -62.84 -63.0 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -35.05 -52.88 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.664 ' CD2' HG11 ' A' ' 45' ' ' VAL . 1.6 mm? -64.7 -66.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.58 ' O ' ' N ' ' A' ' 53' ' ' SER . 3.3 mm-40 -39.77 -53.02 2.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 110.35 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.96 -27.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.772 HD12 ' HG3' ' A' ' 24' ' ' LYS . 2.1 tt -98.91 -60.53 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.842 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -54.23 -14.38 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.58 ' N ' ' O ' ' A' ' 49' ' ' GLN . 24.4 p -91.39 -17.6 25.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.04 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.515 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.5 OUTLIER -47.23 152.46 1.07 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.671 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.03 168.46 24.78 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 1.021 HG11 HD23 ' A' ' 17' ' ' LEU . 0.8 OUTLIER 165.73 150.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 109.279 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -41.94 117.21 0.92 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' A' ' 56' ' ' VAL . 0.1 OUTLIER 179.17 176.88 0.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.605 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.23 139.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.4 m 62.42 128.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.406 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -144.0 175.52 23.81 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.459 1.099 . . . . 0.0 111.045 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.9 m -144.95 144.8 31.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 0.785 . . . . 0.0 109.996 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.466 ' HB3' HG12 ' A' ' 65' ' ' VAL . 4.4 m-20 -93.58 -60.07 1.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 69.25 55.47 0.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.466 HG12 ' HB3' ' A' ' 63' ' ' ASP . 10.1 p -142.54 123.36 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -75.7 57.23 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.433 ' HB2' HG22 ' A' ' 65' ' ' VAL . 1.2 mt -141.81 168.76 18.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.35 110.88 10.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -179.59 152.94 0.53 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 96.3 p -165.97 171.12 12.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.43 -170.3 53.7 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.1 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -49.88 133.8 21.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 0.793 . . . . 0.0 110.447 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 171.22 -36.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 110.053 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.521 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . -65.75 -52.68 36.35 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.545 HG13 ' N ' ' A' ' 76' ' ' ALA . 9.1 p -38.52 -55.12 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 109.314 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.545 ' N ' HG13 ' A' ' 75' ' ' VAL . . . -53.8 -45.19 70.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.521 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 7.2 mt-30 -52.45 -26.31 12.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.477 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -82.82 -31.31 28.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.277 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.991 HG13 ' OG1' ' A' ' 18' ' ' THR . 16.0 t -82.42 -36.93 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.612 ' CE1' ' HB3' ' A' ' 48' ' ' LEU . 6.3 m-85 -66.01 -50.2 65.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.505 ' CB ' ' OE1' ' A' ' 39' ' ' GLN . 0.1 OUTLIER -63.68 -42.84 97.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.836 ' HB3' HG21 ' A' ' 18' ' ' THR . 3.3 m120 -62.21 -46.74 87.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.701 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -52.82 -43.98 66.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.496 ' CD1' ' HB2' ' A' ' 39' ' ' GLN . 25.5 mt -59.67 -38.48 81.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.72 -57.29 12.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 110.268 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.425 HD11 HG22 ' A' ' 18' ' ' THR . 1.0 OUTLIER -55.04 -42.33 72.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.493 HD21 ' C ' ' A' ' 22' ' ' SER . 6.0 mt -51.52 -48.47 62.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.435 ' HG2' HG23 ' A' ' 93' ' ' VAL . 5.2 mt-30 -59.17 -27.12 65.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -82.91 -27.31 30.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.888 ' HB2' HD23 ' A' ' 92' ' ' LEU . 5.3 mttm -87.64 -3.38 58.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.23 13.13 81.34 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.888 HD23 ' HB2' ' A' ' 90' ' ' LYS . 4.3 mm? -67.56 -54.46 19.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 0.79 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.491 HG12 ' HA ' ' A' ' 106' ' ' VAL . 5.3 m -128.72 180.0 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 105' ' ' TYR . 10.7 p90 -162.36 142.94 10.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.147 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.403 ' NE2' ' O ' ' A' ' 99' ' ' GLY . 81.3 mt-30 -101.2 136.7 40.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -96.3 -62.12 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.462 ' CB ' ' HE3' ' A' ' 102' ' ' LYS . 33.4 m-20 -73.73 -18.56 60.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.3 m 61.97 135.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.403 ' O ' ' NE2' ' A' ' 95' ' ' GLN . . . 148.36 152.77 5.78 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.461 1.1 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.4 m -87.92 46.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 110.032 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -178.44 42.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.462 ' HE3' ' CB ' ' A' ' 97' ' ' ASP . 9.3 mmmt -130.13 158.01 40.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 1.045 HD23 ' CE2' ' A' ' 38' ' ' TYR . 1.7 tm? -60.8 133.75 56.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.855 ' N ' HD13 ' A' ' 103' ' ' LEU . 68.7 m-85 -94.6 112.23 23.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.877 ' CD1' HD12 ' A' ' 103' ' ' LEU . 19.8 m-30 -85.91 129.85 34.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.862 HG13 HD13 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -80.89 164.7 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.553 ' O ' HG22 ' A' ' 108' ' ' THR . 5.0 t -89.78 -46.09 8.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.388 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.553 HG22 ' O ' ' A' ' 107' ' ' THR . 0.6 OUTLIER 59.96 161.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.437 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.534 ' C ' ' O ' ' A' ' 108' ' ' THR . 0.2 OUTLIER 30.28 73.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.449 ' HB3' HG23 ' A' ' 107' ' ' THR . 11.0 t70 -173.98 -40.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 50.68 -166.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 90' ' ' LYS . 0.1 OUTLIER 173.85 132.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.6 mp 61.24 178.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.61 127.21 32.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 38.9 p -143.58 169.02 18.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -121.04 96.5 0.6 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 179.77 5.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.791 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.5 t -174.8 -49.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.037 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 43.9 t 60.55 117.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -112.78 164.07 13.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 0.793 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -173.23 165.89 4.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.043 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.57 131.7 6.7 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.472 1.108 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.2 t -176.46 83.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 110.001 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.11 176.69 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.015 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.31 115.66 1.58 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -164.84 114.59 1.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.757 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.12 142.18 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -165.62 160.13 17.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -138.19 164.82 28.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.554 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 12.6 mt -115.25 -114.0 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.637 ' HA ' HG22 ' A' ' 57' ' ' THR . 3.8 m-20 86.33 157.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.665 ' CD2' HG22 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -37.33 -35.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.454 ' O ' ' HB ' ' A' ' 18' ' ' THR . . . -77.84 -53.26 7.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -57.7 -55.96 27.71 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.917 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -56.99 -30.03 63.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.642 HG21 ' HB3' ' A' ' 82' ' ' ASN . 0.9 OUTLIER -66.01 -59.62 3.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.431 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.0 t -43.14 -29.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.99 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.457 HD12 HD11 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -77.94 -53.43 7.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.811 HD23 HG12 ' A' ' 79' ' ' VAL . 11.8 tp -44.08 -45.18 7.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.666 ' HB2' HD13 ' A' ' 87' ' ' LEU . 10.8 p -43.7 -51.86 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 3.1 mt-10 -63.32 -28.46 70.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.898 ' HG3' HD22 ' A' ' 51' ' ' LEU . 23.9 mmtt -71.3 -38.63 71.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.793 HG23 HD13 ' A' ' 42' ' ' LEU . 4.1 mt -76.18 -44.59 36.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.531 ' HB2' HD22 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -56.99 -40.09 75.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.331 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.512 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 3.4 mm-40 -64.41 -40.44 95.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.6 ' CE2' ' HG3' ' A' ' 32' ' ' LYS . 56.3 t80 -59.36 -34.8 72.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.805 HD21 ' CE2' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -61.11 -47.57 85.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -72.72 -15.72 61.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -83.63 -40.5 18.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.6 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 14.6 mmtp -93.54 -23.05 18.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' LEU . 62.1 mmtt 58.45 67.25 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.569 ' SD ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -109.93 175.98 5.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.943 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -126.38 -1.51 6.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.7 p -169.47 142.23 2.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.805 ' CE2' HD21 ' A' ' 29' ' ' LEU . 27.8 p90 -169.78 163.41 9.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.945 ' CE2' HD23 ' A' ' 103' ' ' LEU . 42.5 m-85 -111.13 156.0 22.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.523 ' OE1' ' CB ' ' A' ' 81' ' ' LYS . 12.9 tt0 -54.34 -32.55 57.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.417 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 5.3 pt20 -71.66 -41.59 68.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.417 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 3.1 mm-40 -55.65 -18.41 7.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.793 HD13 HG23 ' A' ' 25' ' ' ILE . 10.4 mt -99.9 -20.94 15.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.431 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 1.0 OUTLIER -68.28 -9.01 44.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 40' ' ' GLN . 13.5 p -94.95 -9.35 34.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.396 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.418 HG11 ' CD1' ' A' ' 28' ' ' PHE . 23.6 t -80.72 100.62 5.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -47.69 -58.96 3.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 110.336 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.8 m -40.5 -42.31 1.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.508 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 85.1 mt -73.25 -56.13 5.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.0 mt-30 -46.19 -42.48 14.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.59 -24.46 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.898 HD22 ' HG3' ' A' ' 24' ' ' LYS . 4.0 tp -99.1 -47.19 5.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.525 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -68.58 -3.01 10.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' GLN . 30.0 t -109.41 -12.56 14.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 0.0 110.033 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -41.03 152.98 0.24 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.355 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.523 ' O ' ' C ' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.02 -29.98 7.62 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.496 1.787 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.907 HG11 HD23 ' A' ' 17' ' ' LEU . 1.2 p 30.2 -99.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.788 ' N ' HG22 ' A' ' 56' ' ' VAL . 1.8 t -174.3 119.73 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.382 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.545 ' CD2' HG13 ' A' ' 56' ' ' VAL . 1.5 p80 -171.43 163.4 6.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.613 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.16 88.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.1 m -163.74 148.63 10.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.415 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.64 165.72 29.46 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.491 1.12 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.9 t -114.33 -69.38 0.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 110.036 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.21 125.39 13.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.16 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.532 ' O ' ' O ' ' A' ' 65' ' ' VAL . 12.4 mm-40 -75.27 -0.39 19.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.572 ' O ' ' CB ' ' A' ' 66' ' ' GLU . 4.2 p 44.81 102.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.572 ' CB ' ' O ' ' A' ' 65' ' ' VAL . 10.6 tt0 91.36 27.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.676 HD12 ' O ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -85.98 45.2 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt 58.19 -177.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.77 -56.07 5.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.233 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.77 156.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.412 ' O ' HD11 ' A' ' 67' ' ' LEU . . . -81.34 -76.34 1.06 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.636 HG23 ' O ' ' A' ' 72' ' ' THR . 8.9 t -72.77 73.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.77 . . . . 0.0 110.409 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.7 t -133.73 68.73 1.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.947 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.482 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . -173.4 -52.14 0.05 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.492 1.12 . . . . 0.0 110.968 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.449 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 58.2 t -43.9 -45.09 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 0.787 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.442 ' HA ' ' O ' ' A' ' 52' ' ' ALA . . . -60.0 -40.94 90.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.352 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.482 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 1.0 OUTLIER -57.83 -23.2 51.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 0.1 OUTLIER -83.58 -31.08 26.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.811 HG12 HD23 ' A' ' 21' ' ' LEU . 21.9 t -80.36 -39.71 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.489 ' HB3' ' CG ' ' A' ' 39' ' ' GLN . 2.1 m-85 -66.96 -59.03 3.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.523 ' CB ' ' OE1' ' A' ' 39' ' ' GLN . 2.4 ptpt -48.79 -37.98 20.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.378 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.642 ' HB3' HG21 ' A' ' 18' ' ' THR . 92.6 m-20 -65.88 -52.19 52.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.63 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -41.05 -64.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.658 HD11 ' HE1' ' A' ' 37' ' ' PHE . 3.8 mm? -38.25 -49.16 1.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.47 -49.13 56.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.484 ' N ' HD22 ' A' ' 86' ' ' LEU . 3.0 mm? -58.18 -55.4 35.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.666 HD13 ' HB2' ' A' ' 22' ' ' SER . 0.2 OUTLIER -44.22 -56.79 3.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.153 . . . . 0.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.492 ' HG2' ' CG2' ' A' ' 93' ' ' VAL . 0.2 OUTLIER -54.87 -30.17 57.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 110.277 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 86' ' ' LEU . 65.4 mm-40 -77.7 -25.54 49.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.22 -29.04 16.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 107' ' ' THR . . . 103.79 22.04 9.22 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.593 HD13 HD12 ' A' ' 87' ' ' LEU . 3.7 mt -83.33 -37.59 23.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.492 ' CG2' ' HG2' ' A' ' 88' ' ' GLN . 3.8 m -139.76 175.28 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 105' ' ' TYR . 25.9 p90 -164.45 151.5 11.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.971 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.614 ' CD ' ' CE1' ' A' ' 104' ' ' TYR . 58.8 mt-30 -114.72 127.13 55.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.571 ' HG3' ' CE2' ' A' ' 105' ' ' TYR . 0.5 OUTLIER -91.67 48.63 1.48 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 98' ' ' SER . 0.6 OUTLIER 173.32 89.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 97' ' ' ASP . 1.0 OUTLIER -37.83 106.61 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.973 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -175.47 168.46 40.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.26 -56.97 3.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -86.92 68.84 10.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -128.11 159.69 34.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.945 HD23 ' CE2' ' A' ' 38' ' ' TYR . 1.7 tm? -69.76 131.12 44.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.822 ' N ' HD13 ' A' ' 103' ' ' LEU . 53.0 m-85 -97.93 111.68 23.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.905 ' CE1' HD12 ' A' ' 103' ' ' LEU . 33.1 m-85 -88.18 144.02 26.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.486 HG13 HD23 ' A' ' 29' ' ' LEU . 1.3 t -76.15 162.11 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 92' ' ' LEU . 13.5 t -87.51 -35.29 18.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.375 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 108' ' ' THR . 9.3 t 36.79 49.43 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.406 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 108' ' ' THR . 10.7 tttt 39.98 51.12 2.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.254 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -169.68 112.35 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.81 163.94 31.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -137.1 -51.18 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.252 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 74.73 -66.63 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -45.64 120.51 2.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 93.9 p -136.34 152.67 50.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -52.51 130.62 38.57 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -42.32 0.52 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.462 1.77 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 67.7 m 56.59 81.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.67 130.1 56.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.958 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -172.31 158.88 4.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 0.723 . . . . 0.0 110.034 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.79 128.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.023 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.67 -140.63 0.27 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -155.95 -60.12 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 0.775 . . . . 0.0 109.999 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 44.05 88.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.042 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.94 159.07 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.121 . . . . 0.0 111.054 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -118.85 -63.93 1.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 0.777 . . . . 0.0 109.303 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.43 73.77 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -72.95 101.14 3.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -65.13 121.64 15.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 109.346 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -53.23 -173.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.499 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 22.5 t70 174.24 154.69 0.12 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.578 HD23 HG22 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -40.59 -29.73 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.45 ' N ' ' C ' ' A' ' 13' ' ' ASP . . . -91.47 -41.03 11.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -64.43 -51.11 55.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.054 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -69.05 -23.8 64.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.681 HG21 ' HB3' ' A' ' 82' ' ' ASN . 0.9 OUTLIER -66.03 -60.87 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 110.362 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 18' ' ' THR . 24.6 t -37.76 -36.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.965 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.917 HD13 HD11 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -68.99 -55.73 9.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.872 ' CD2' ' HB2' ' A' ' 52' ' ' ALA . 16.4 tp -45.36 -50.14 12.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.697 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 4.9 p -41.54 -50.87 4.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.986 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 7.0 mt-10 -62.5 -33.68 75.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.915 ' HG3' HD12 ' A' ' 51' ' ' LEU . 2.2 mmpt? -66.12 -44.42 84.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.826 HG23 HD13 ' A' ' 42' ' ' LEU . 7.3 mt -72.33 -53.88 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.38 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.522 ' HD2' ' CD1' ' A' ' 92' ' ' LEU . 1.5 pttm -47.41 -37.4 11.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 23' ' ' GLU . 2.5 mm-40 -68.81 -43.0 76.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.461 ' CE1' ' HE3' ' A' ' 32' ' ' LYS . 62.1 t80 -56.96 -21.03 27.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 111.04 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.588 HD22 ' CE2' ' A' ' 37' ' ' PHE . 11.6 mt -81.22 -48.24 12.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -65.22 -10.47 31.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -94.54 -50.4 5.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.461 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 16.7 mmtp -82.34 -18.16 43.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.51 ' N ' ' O ' ' A' ' 29' ' ' LEU . 1.2 mttt 50.28 67.44 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.538 ' SD ' ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -102.1 170.96 7.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 0.0 110.98 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -120.56 -7.3 9.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.37 143.14 2.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.98 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.588 ' CE2' HD22 ' A' ' 29' ' ' LEU . 8.5 p90 -169.26 171.96 7.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.882 ' CE2' HD23 ' A' ' 103' ' ' LEU . 37.4 m-85 -115.68 151.29 35.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.482 ' HB2' ' CE2' ' A' ' 104' ' ' TYR . 2.3 tt0 -57.2 -34.65 68.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.278 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.464 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 5.6 pt20 -67.17 -44.04 80.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.464 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 4.9 mm-40 -52.66 -21.73 4.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.826 HD13 HG23 ' A' ' 25' ' ' ILE . 12.4 mt -94.8 -23.0 17.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.533 ' OE2' ' CD2' ' A' ' 80' ' ' PHE . 1.5 mm-40 -65.19 -11.88 45.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.4 p -93.32 -9.57 38.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.399 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.1 t -83.84 119.48 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 47' ' ' SER . 0.1 OUTLIER -60.12 -60.12 4.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 110.293 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' GLU . 64.7 m -38.36 -36.82 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.979 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.48 HD13 HG12 ' A' ' 25' ' ' ILE . 44.3 mt -79.83 -60.65 2.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.558 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.3 OUTLIER -45.84 -47.3 15.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.258 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.65 -22.09 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.917 HD11 HD13 ' A' ' 20' ' ' LEU . 1.2 tt -98.73 -57.83 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.308 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.872 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -61.23 -11.51 9.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.558 ' N ' ' O ' ' A' ' 49' ' ' GLN . 55.6 m -95.62 -21.43 18.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.521 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 3.4 mtt180 -44.56 154.79 0.4 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.673 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.02 170.33 20.66 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.944 HG11 HD23 ' A' ' 17' ' ' LEU . 0.7 OUTLIER 167.1 151.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.0 t -84.57 127.78 34.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.413 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.537 ' CE1' HG23 ' A' ' 75' ' ' VAL . 18.6 p80 -175.54 173.25 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.564 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.9 -52.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.2 t -61.95 147.85 45.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.43 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 137.44 99.84 0.53 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.8 m -123.33 -61.94 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 110.024 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER 62.47 135.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -61.95 79.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 63' ' ' ASP . 14.0 p -165.0 135.83 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -110.72 47.98 0.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.55 102.6 11.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.83 162.96 33.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.5 t70 175.57 127.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 70.55 169.19 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.96 -80.16 1.0 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.447 1.092 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.9 p -70.96 60.52 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 0.781 . . . . 0.0 110.402 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.37 -50.02 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.064 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.508 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . -51.42 -53.74 27.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.548 HG13 ' N ' ' A' ' 76' ' ' ALA . 11.7 p -43.37 -53.65 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.548 ' N ' HG13 ' A' ' 75' ' ' VAL . . . -58.37 -36.64 73.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.508 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 8.8 mt-30 -60.84 -19.22 59.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.503 ' HB3' HD11 ' A' ' 14' ' ' LEU . 3.5 mpt_? -88.91 -34.27 17.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.733 HG12 HD23 ' A' ' 21' ' ' LEU . 22.1 t -76.8 -37.61 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.533 ' CD2' ' OE2' ' A' ' 43' ' ' GLU . 1.7 m-85 -66.06 -60.61 2.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.96 -37.47 44.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.681 ' HB3' HG21 ' A' ' 18' ' ' THR . 90.0 m-20 -65.26 -51.73 58.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.697 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -41.33 -64.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.588 ' HB3' ' CE1' ' A' ' 104' ' ' TYR . 3.9 mm? -38.15 -50.4 1.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.455 ' HA ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -48.28 -52.3 21.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.491 ' N ' HD22 ' A' ' 86' ' ' LEU . 3.0 mm? -55.93 -57.47 11.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.614 HD13 ' HB2' ' A' ' 22' ' ' SER . 0.2 OUTLIER -43.21 -58.81 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.53 ' HG2' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -51.02 -40.98 59.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 86' ' ' LEU . 2.1 mt-10 -63.16 -25.3 68.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.471 ' HB2' HD12 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -92.48 -30.23 15.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.411 ' O ' ' CB ' ' A' ' 107' ' ' THR . . . 105.23 21.33 8.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.522 ' CD1' ' HD2' ' A' ' 26' ' ' LYS . 2.4 mt -80.51 -41.85 23.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.53 HG23 ' HG2' ' A' ' 88' ' ' GLN . 5.6 m -136.41 172.98 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.57 ' CD1' ' HB2' ' A' ' 105' ' ' TYR . 32.7 p90 -163.61 150.52 12.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.576 ' CD ' ' CE1' ' A' ' 104' ' ' TYR . 69.2 mt-30 -120.85 121.23 37.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -75.61 -50.02 16.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.24 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -84.28 107.68 16.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.87 114.02 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 170.81 130.08 1.18 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.2 t -52.88 -48.48 67.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 0.737 . . . . 0.0 110.035 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -88.35 61.08 6.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -123.96 166.9 14.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.978 HD12 ' CE1' ' A' ' 105' ' ' TYR . 1.6 tm? -78.22 131.63 37.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.85 ' N ' HD13 ' A' ' 103' ' ' LEU . 59.7 m-85 -94.52 120.42 34.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.978 ' CE1' HD12 ' A' ' 103' ' ' LEU . 19.8 m-85 -93.51 139.19 31.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.586 HG13 HD13 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -83.24 164.18 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.629 ' O ' HG22 ' A' ' 108' ' ' THR . 2.7 t -94.95 179.02 5.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.629 HG22 ' O ' ' A' ' 107' ' ' THR . 13.1 t 46.78 -172.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.387 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -90.43 -69.07 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 174.97 -176.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -73.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 113' ' ' LEU . 0.0 OUTLIER -136.5 152.6 50.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 112' ' ' ASP . 0.5 OUTLIER -39.71 107.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -178.12 62.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 88.7 p -170.36 169.63 7.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.997 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -73.11 -153.12 2.18 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -179.07 4.64 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.2 p -173.26 169.53 4.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.64 100.15 4.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.043 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.82 133.27 39.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 109.966 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 p -175.43 163.83 3.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.999 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.72 -172.83 34.45 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.32 170.97 7.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.754 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.46 101.97 4.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.949 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 39.62 -159.68 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 176.9 103.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 0.738 . . . . 0.0 109.266 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -157.37 -165.65 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -167.89 -42.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 10' ' ' ASP . 20.2 m-20 -38.26 97.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 12' ' ' LEU . 0.7 OUTLIER -51.05 -179.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.734 ' OD1' HG21 ' A' ' 57' ' ' THR . 4.9 m-20 -178.14 161.68 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.014 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -41.78 -34.58 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.61 -33.42 13.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -65.5 -46.34 85.65 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.701 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -72.68 -42.95 63.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 0.751 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.921 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.3 m -50.02 -51.22 43.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 t -39.99 -38.5 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.941 ' HG ' HD11 ' A' ' 51' ' ' LEU . 1.4 tp -70.65 -56.52 6.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.085 ' CD1' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -40.17 -50.44 2.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 21' ' ' LEU . 43.9 p -33.61 -58.53 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.05 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 5.4 mm-40 -59.8 -39.02 83.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.979 ' HG3' HD12 ' A' ' 51' ' ' LEU . 3.8 mmpt? -61.8 -48.78 79.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.085 HD11 ' CD1' ' A' ' 21' ' ' LEU . 5.3 mt -68.86 -40.95 81.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.348 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.514 ' HA ' HD22 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -64.97 -40.42 94.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 23' ' ' GLU . 1.4 mm-40 -61.2 -38.67 87.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 110.329 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.716 ' CE1' HG21 ' A' ' 45' ' ' VAL . 89.0 t80 -57.7 -37.75 74.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.665 HD11 ' CE2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -59.8 -48.62 80.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -70.42 -16.55 62.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.286 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.77 -40.68 22.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.581 ' HB2' ' SD ' ' A' ' 34' ' ' MET . 13.3 mmtp -94.54 -23.5 17.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' A' ' 29' ' ' LEU . 5.8 mttt 59.23 67.55 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.615 ' SD ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -112.38 173.86 6.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 111.038 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -120.97 -5.49 9.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.454 ' CB ' HD11 ' A' ' 103' ' ' LEU . 0.2 OUTLIER -168.82 138.53 2.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.665 ' CE2' HD11 ' A' ' 29' ' ' LEU . 33.1 p90 -162.19 -174.75 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 1.0 ' CE2' HD23 ' A' ' 103' ' ' LEU . 97.5 m-85 -127.79 149.45 50.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.697 ' HA ' HD23 ' A' ' 42' ' ' LEU . 41.0 tt0 -54.5 -18.82 4.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.488 ' O ' HG23 ' A' ' 44' ' ' THR . 7.2 pt20 -80.57 -13.72 58.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.31 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -82.41 -12.28 58.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.848 ' N ' HD22 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -105.02 -21.73 13.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.483 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 1.2 mt-10 -68.87 -17.97 64.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 40' ' ' GLN . 44.9 p -88.76 -16.65 31.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 110.409 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.716 HG21 ' CE1' ' A' ' 28' ' ' PHE . 21.7 t -80.63 113.3 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' LEU . 1.5 mt-10 -54.44 -62.99 1.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.1 m -39.09 -31.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.011 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.664 HD12 ' HB ' ' A' ' 45' ' ' VAL . 81.1 mt -82.98 -61.02 1.97 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -46.5 -47.05 19.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.96 -20.93 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.979 HD12 ' HG3' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -98.69 -54.72 2.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.775 ' HB2' HD11 ' A' ' 21' ' ' LEU . . . -65.82 -6.09 10.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 49' ' ' GLN . 49.9 m -104.84 -21.64 13.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 2.3 mtt180 -40.11 156.5 0.17 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.478 ' C ' ' CG2' ' A' ' 56' ' ' VAL . 18.3 Cg_endo -75.01 165.55 31.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.791 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.735 HG11 ' N ' ' A' ' 14' ' ' LEU . 1.5 t -153.24 -152.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.734 HG21 ' OD1' ' A' ' 13' ' ' ASP . 8.6 p -86.5 65.05 8.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.39 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -143.24 167.47 22.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.619 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.84 82.77 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.994 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.5 m -113.3 -58.8 2.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.431 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.16 -89.96 1.23 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.536 1.147 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.2 p -55.02 171.45 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 0.791 . . . . 0.0 110.009 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.635 ' HB3' HG12 ' A' ' 65' ' ' VAL . 6.5 m-20 -170.16 -49.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 59.16 53.96 5.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.635 HG12 ' HB3' ' A' ' 63' ' ' ASP . 5.0 p -156.32 133.97 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 59.28 52.7 5.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 mp -52.5 -67.99 0.21 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -74.08 82.16 1.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 169.76 -54.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.44 165.27 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -107.68 59.27 0.38 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.593 HG23 ' O ' ' A' ' 72' ' ' THR . 11.5 t -167.19 56.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.768 . . . . 0.0 110.402 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -95.03 152.98 17.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.044 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.92 -50.61 4.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.569 HG13 ' N ' ' A' ' 76' ' ' ALA . 14.7 p -56.61 -55.68 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.569 ' N ' HG13 ' A' ' 75' ' ' VAL . . . -60.53 -34.85 74.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -57.9 -19.73 31.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.412 ' HA ' ' CD ' ' A' ' 81' ' ' LYS . 67.1 mtt180 -89.78 -35.96 15.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.921 HG13 ' OG1' ' A' ' 18' ' ' THR . 7.1 t -72.88 -41.01 60.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.548 ' CE2' ' HB3' ' A' ' 52' ' ' ALA . 2.2 m-85 -65.89 -37.26 85.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 111.034 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.51 ' CB ' ' OE1' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -78.57 -39.57 37.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.612 ' O ' HD12 ' A' ' 86' ' ' LEU . 14.6 m120 -74.27 -27.25 60.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.527 ' HB3' ' CD1' ' A' ' 25' ' ' ILE . . . -71.17 -33.84 70.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.755 HD23 HD12 ' A' ' 87' ' ' LEU . 16.5 mt -72.32 -43.38 64.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.02 -52.7 5.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.336 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.612 HD12 ' O ' ' A' ' 82' ' ' ASN . 1.2 mp -55.27 -46.48 76.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.755 HD12 HD23 ' A' ' 84' ' ' LEU . 86.8 mt -49.76 -40.04 39.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.935 ' OE1' HG23 ' A' ' 93' ' ' VAL . 0.1 OUTLIER -66.86 -28.73 68.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.263 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -75.39 -28.7 59.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.664 ' HB2' HD12 ' A' ' 92' ' ' LEU . 3.8 mttt -85.05 -30.64 23.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.82 18.25 12.94 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.669 HD13 HD22 ' A' ' 87' ' ' LEU . 1.4 mt -76.91 -45.88 26.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 0.739 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.935 HG23 ' OE1' ' A' ' 88' ' ' GLN . 1.3 m -133.08 176.19 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.59 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 11.5 p90 -162.94 153.15 16.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.528 ' NE2' ' CE2' ' A' ' 104' ' ' TYR . 15.6 mm-40 -117.25 140.79 49.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -103.53 -67.49 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.243 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.461 ' O ' ' O ' ' A' ' 98' ' ' SER . 0.3 OUTLIER -85.93 76.21 9.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.461 ' O ' ' O ' ' A' ' 97' ' ' ASP . 30.7 m 35.6 92.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.489 ' HA3' ' CG ' ' A' ' 95' ' ' GLN . . . -61.45 -134.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.556 ' O ' ' CB ' ' A' ' 101' ' ' ASP . 20.9 t 70.16 23.46 5.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 109.982 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 100' ' ' SER . 1.0 OUTLIER 152.33 -23.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.471 ' HB3' ' HA2' ' A' ' 99' ' ' GLY . 4.9 tppt? -78.52 152.34 32.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 1.0 HD23 ' CE2' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -37.11 122.91 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.759 ' N ' HD13 ' A' ' 103' ' ' LEU . 51.2 m-85 -94.93 112.14 23.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.805 ' CD1' HD12 ' A' ' 103' ' ' LEU . 20.6 m-30 -78.24 128.42 33.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -105.52 153.52 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.5 t -53.42 132.87 40.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.408 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.602 HG23 ' H ' ' A' ' 109' ' ' LYS . 0.2 OUTLIER -40.8 -59.77 1.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.39 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.602 ' H ' HG23 ' A' ' 108' ' ' THR . 0.0 OUTLIER -176.7 53.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -60.43 -52.1 66.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 58.29 160.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -166.47 88.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 66.23 140.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -165.97 -164.72 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -170.05 79.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.004 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 158.82 147.89 5.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -163.05 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.01 172.87 12.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.989 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.9 p -107.19 154.33 21.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.022 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 p -113.84 -58.42 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.788 . . . . 0.0 110.001 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.4 t 179.25 -58.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.985 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.22 -154.9 26.0 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 t -160.61 110.78 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.999 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.8 -60.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.91 -52.79 11.18 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 58.61 88.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -168.23 -177.98 3.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.248 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -100.99 95.01 6.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -51.44 129.5 25.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 12' ' ' LEU . 11.7 mt -120.82 167.6 12.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.7 ' HA ' HG12 ' A' ' 56' ' ' VAL . 17.6 t70 -156.16 156.49 34.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.832 ' N ' HG11 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -42.71 -36.3 1.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.38 -46.78 19.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.06 -54.48 37.08 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.86 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -58.52 -42.17 87.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.707 HG21 ' HB3' ' A' ' 82' ' ' ASN . 1.2 m -56.31 -58.93 5.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.391 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 18' ' ' THR . 7.4 t -36.89 -38.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.029 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 21' ' ' LEU . 1.9 tp -70.13 -57.98 4.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.829 HD13 HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -37.71 -55.04 1.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.693 ' HB2' HD13 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -37.6 -54.85 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.006 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.503 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . 6.0 mt-10 -62.37 -35.36 78.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.346 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.535 ' N ' ' O ' ' A' ' 21' ' ' LEU . 23.6 mmtt -66.77 -53.17 35.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.897 HG23 ' CD1' ' A' ' 42' ' ' LEU . 13.1 mt -59.64 -47.79 89.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.503 ' CE ' ' HA ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -55.84 -39.88 72.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.502 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 3.3 mm-40 -60.49 -40.61 91.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.739 ' CE1' HG21 ' A' ' 45' ' ' VAL . 58.6 t80 -58.53 -38.81 78.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.802 HD11 ' CE2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -56.87 -49.27 76.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -73.09 -15.46 61.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.32 -38.23 22.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.594 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 12.7 mmtp -96.02 -23.68 16.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' LEU . 3.9 mptt 59.07 67.0 0.96 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.591 ' SD ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -109.56 176.23 5.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -122.27 -6.6 8.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.294 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.552 ' HB2' HD11 ' A' ' 103' ' ' LEU . 2.4 p -168.51 148.37 4.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.983 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.802 ' CE2' HD11 ' A' ' 29' ' ' LEU . 31.1 p90 -174.31 171.69 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 1.079 ' CE2' HD23 ' A' ' 103' ' ' LEU . 51.9 m-85 -116.32 148.31 40.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.521 ' CG ' ' HB3' ' A' ' 80' ' ' PHE . 2.9 tt0 -50.13 -35.48 26.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -68.98 -40.36 78.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.42 ' CG ' ' HB2' ' A' ' 38' ' ' TYR . 4.5 mm-40 -56.04 -18.15 8.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.25 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.897 ' CD1' HG23 ' A' ' 25' ' ' ILE . 13.6 mt -100.29 -21.52 15.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.487 ' HA ' ' CZ ' ' A' ' 80' ' ' PHE . 0.9 OUTLIER -64.03 -12.2 36.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.3 p -94.28 -6.78 43.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.365 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.739 HG21 ' CE1' ' A' ' 28' ' ' PHE . 54.8 t -85.12 104.82 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.22 -52.97 57.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.7 m -46.41 -26.77 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 14.2 mt -93.75 -60.26 1.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.488 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -42.37 -44.55 3.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.278 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.03 -25.7 0.23 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.51 ' CD2' ' HA ' ' A' ' 21' ' ' LEU . 2.6 tp -97.95 -47.23 5.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.519 ' CB ' ' CE2' ' A' ' 80' ' ' PHE . . . -65.35 -6.71 10.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 49' ' ' GLN . 26.5 t -113.59 -12.71 12.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -51.7 158.46 1.57 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.454 ' C ' ' CG2' ' A' ' 56' ' ' VAL . 18.4 Cg_endo -75.0 169.35 22.82 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.832 HG11 ' N ' ' A' ' 14' ' ' LEU . 1.8 t -151.92 -140.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.428 ' H ' HG12 ' A' ' 56' ' ' VAL . 2.9 t -108.31 39.03 2.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.419 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -106.12 166.77 10.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.604 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.6 t -134.84 -49.36 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.017 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.3 t -166.32 146.44 6.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.402 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -164.09 -173.76 33.12 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.6 m -106.79 -175.8 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 109.999 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -111.26 -68.48 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 65.05 53.72 1.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.469 HG12 ' HB2' ' A' ' 67' ' ' LEU . 53.6 t -137.13 120.83 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -68.81 64.94 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.469 ' HB2' HG12 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -160.56 -173.56 4.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.07 100.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.52 170.19 12.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 26.9 m 67.18 125.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 108.2 121.86 4.65 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.474 1.109 . . . . 0.0 110.962 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 49.6 p -46.07 126.94 8.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 0.759 . . . . 0.0 110.333 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.45 ' O ' ' HB3' ' A' ' 76' ' ' ALA . 0.1 OUTLIER 179.96 -53.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.965 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 77' ' ' GLN . . . -46.37 -56.21 7.29 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.441 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 48.3 t -43.45 -44.24 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.533 0.784 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -62.51 -40.9 98.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 74' ' ' GLY . 7.5 mt-30 -56.04 -18.04 8.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.471 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -90.39 -33.8 15.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.634 HG12 HD12 ' A' ' 21' ' ' LEU . 24.7 t -78.01 -39.83 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.521 ' HB3' ' CG ' ' A' ' 39' ' ' GLN . 1.7 m-85 -68.69 -57.51 5.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.58 -36.76 56.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.707 ' HB3' HG21 ' A' ' 18' ' ' THR . 75.7 m-20 -67.21 -49.57 64.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.663 ' CB ' HD12 ' A' ' 25' ' ' ILE . . . -44.49 -63.16 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.479 ' HG ' ' CE2' ' A' ' 104' ' ' TYR . 3.8 mm? -42.09 -51.65 4.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.435 ' HA ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -45.27 -56.26 5.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.354 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.573 HD11 HG22 ' A' ' 18' ' ' THR . 1.1 mt -54.75 -54.52 40.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.093 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.693 HD13 ' HB2' ' A' ' 22' ' ' SER . 0.0 OUTLIER -42.48 -57.89 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.496 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 0.3 OUTLIER -53.6 -33.11 53.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.325 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 86' ' ' LEU . 2.9 mm-40 -72.78 -30.06 63.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.54 -28.1 22.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 107' ' ' THR . . . 103.14 21.44 10.06 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.526 ' HA ' HG21 ' A' ' 107' ' ' THR . 7.4 mt -80.25 -39.26 29.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 88' ' ' GLN . 3.3 m -140.12 176.84 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.239 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.692 ' CE1' ' CB ' ' A' ' 105' ' ' TYR . 27.3 p90 -164.76 147.92 8.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.102 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' A' ' 99' ' ' GLY . 76.5 mt-30 -90.54 140.96 29.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.496 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 1.0 OUTLIER -114.18 65.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.243 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 3.2 m-20 156.79 -24.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 73.3 132.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.042 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.482 ' O ' ' NE2' ' A' ' 95' ' ' GLN . . . 155.13 133.11 1.67 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.12 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 m -45.13 -53.88 7.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 110.009 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -106.45 74.97 1.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.1 mmtm -126.74 177.35 6.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 1.079 HD23 ' CE2' ' A' ' 38' ' ' TYR . 2.0 tm? -76.48 138.79 40.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.919 ' N ' HD13 ' A' ' 103' ' ' LEU . 28.1 m-85 -109.31 126.98 53.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.991 ' CE1' HD12 ' A' ' 103' ' ' LEU . 6.0 m-85 -100.43 140.47 34.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.445 HG13 HD23 ' A' ' 29' ' ' LEU . 1.3 t -76.59 160.01 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.788 ' O ' HG22 ' A' ' 108' ' ' THR . 14.8 t -92.71 165.24 13.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.374 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.788 HG22 ' O ' ' A' ' 107' ' ' THR . 13.5 t 51.53 -167.7 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -122.63 154.59 37.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.3 t0 178.48 89.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -171.33 -163.86 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -120.18 93.94 4.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.3 tt 63.07 139.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -165.89 175.88 8.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 28.0 t -113.25 -64.97 1.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.142 . . . . 0.0 110.017 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 70.61 103.05 0.04 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.545 1.153 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 179.86 5.68 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.552 1.817 . . . . 0.0 110.947 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.0 m -139.62 151.45 46.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.72 -55.36 2.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.032 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 12' ' ' LEU . 10.6 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.595 ' HA ' HG12 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -164.03 154.87 15.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.83 ' N ' HG11 ' A' ' 56' ' ' VAL . 0.8 OUTLIER -40.85 -40.71 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.21 -46.33 20.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.09 -52.18 50.91 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.849 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -66.21 -39.15 89.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.302 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.97 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.5 m -57.97 -57.43 12.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.416 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.505 ' HA ' HD13 ' A' ' 86' ' ' LEU . 1.8 t -37.83 -38.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.967 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.7 tp -71.08 -54.68 10.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.817 HD23 HG12 ' A' ' 79' ' ' VAL . 11.5 tp -41.56 -43.68 2.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.502 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 0.5 OUTLIER -46.54 -56.7 5.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.22 -32.23 72.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.934 ' HG3' HD22 ' A' ' 51' ' ' LEU . 24.0 mmtt -62.4 -33.25 74.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 109.277 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.743 HG23 ' CD1' ' A' ' 42' ' ' LEU . 1.8 mp -78.21 -49.46 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.521 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -53.17 -38.59 62.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.521 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 2.0 mm-40 -68.14 -40.75 82.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 110.347 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.755 ' CE1' HG21 ' A' ' 45' ' ' VAL . 67.4 t80 -56.56 -39.55 73.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 111.02 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.615 HD21 ' CE1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -59.63 -48.8 80.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -66.72 -13.98 62.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -89.19 -43.76 10.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.267 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.588 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 56.0 mmtt -84.21 -14.43 50.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt 57.84 63.82 1.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.46 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -126.23 163.58 22.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 111.006 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -119.58 6.51 11.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 p -166.45 148.14 6.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.992 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.77 ' CE2' HD11 ' A' ' 42' ' ' LEU . 36.3 p90 -175.76 -176.67 0.87 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.937 ' CE2' HD23 ' A' ' 103' ' ' LEU . 46.4 m-85 -128.3 146.65 50.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 111.053 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.42 ' CG ' ' HB3' ' A' ' 80' ' ' PHE . 3.3 tt0 -52.89 -41.87 64.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -60.74 -39.67 89.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.153 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -59.32 -23.78 62.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.327 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.77 HD11 ' CE2' ' A' ' 37' ' ' PHE . 9.3 mt -93.2 -21.9 19.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 1.4 mt-10 -62.95 -17.72 62.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.2 p -91.04 -9.73 44.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.453 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.755 HG21 ' CE1' ' A' ' 28' ' ' PHE . 95.0 t -81.25 94.69 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -43.44 -53.34 5.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.7 m -44.62 -32.0 1.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.516 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 29.7 mt -86.06 -58.33 2.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.0 mt-30 -45.2 -43.84 10.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.41 -24.74 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.934 HD22 ' HG3' ' A' ' 24' ' ' LYS . 3.4 tp -99.04 -47.41 5.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.716 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -66.55 -6.08 13.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 49' ' ' GLN . 39.7 t -113.73 -16.65 12.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -44.95 158.91 0.27 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.25 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.479 ' C ' ' CG2' ' A' ' 56' ' ' VAL . 18.5 Cg_endo -74.94 169.82 21.77 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.83 HG11 ' N ' ' A' ' 14' ' ' LEU . 1.8 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.487 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 55.0 t -41.42 -46.3 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.54 -44.01 93.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.487 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 6.2 mt-30 -52.63 -23.98 7.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.463 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -85.17 -34.38 22.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.97 HG13 ' OG1' ' A' ' 18' ' ' THR . 40.3 t -77.16 -36.32 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.517 ' CE2' ' CB ' ' A' ' 52' ' ' ALA . 2.1 m-85 -70.4 -56.56 6.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 82' ' ' ASN . 0.1 OUTLIER -51.84 -39.53 59.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.481 ' HB3' HG21 ' A' ' 18' ' ' THR . 94.9 m-20 -70.03 -42.61 72.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.502 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -49.0 -53.6 19.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.153 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.522 ' HB3' ' CE1' ' A' ' 104' ' ' TYR . 3.7 mm? -55.08 -50.72 68.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -46.19 -58.15 3.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.683 HD11 HG22 ' A' ' 18' ' ' THR . 1.5 mt -46.89 -50.65 18.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.858 HD22 HD13 ' A' ' 92' ' ' LEU . 91.5 mt -50.32 -43.34 53.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.558 ' HG2' HG23 ' A' ' 93' ' ' VAL . 68.4 mt-30 -66.36 -19.16 65.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -88.92 -24.16 22.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -90.92 -29.04 17.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.02 14.31 23.08 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.858 HD13 HD22 ' A' ' 87' ' ' LEU . 4.1 mt -76.09 -44.22 39.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 0.732 . . . . 0.0 109.358 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.558 HG23 ' HG2' ' A' ' 88' ' ' GLN . 2.3 m -128.56 173.04 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 10.5 p90 -161.97 148.67 13.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.482 ' OE1' ' CB ' ' A' ' 102' ' ' LYS . 3.2 mt-30 -122.84 121.91 37.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.258 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.4 mtp-105 -81.19 -46.63 14.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.147 . . . . 0.0 110.322 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -96.72 115.81 28.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.22 156.32 15.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.976 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 132.11 124.7 2.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.8 p -44.04 -51.85 7.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 110.028 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -87.61 75.35 9.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.482 ' CB ' ' OE1' ' A' ' 95' ' ' GLN . 13.1 mmtt -132.46 159.04 40.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.937 HD23 ' CE2' ' A' ' 38' ' ' TYR . 1.3 tm? -72.73 134.0 44.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.871 ' N ' HD13 ' A' ' 103' ' ' LEU . 33.5 m-85 -98.45 108.83 21.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.915 ' CD1' HD12 ' A' ' 103' ' ' LEU . 21.3 m-30 -83.2 117.36 22.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.4 p -87.23 151.87 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 11.9 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.41 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 12' ' ' LEU . 9.0 mt . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.636 ' HA ' HG12 ' A' ' 56' ' ' VAL . 9.9 t0 -163.13 158.76 22.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.17 . . . . 0.0 109.255 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.819 ' N ' HG11 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -40.09 -45.23 1.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.73 -54.16 12.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.99 -53.28 27.5 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.441 1.088 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.942 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -63.02 -39.17 93.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 0.78 . . . . 0.0 109.315 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.968 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.6 m -58.54 -54.94 41.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.405 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 18' ' ' THR . 5.3 t -36.9 -39.72 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.026 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 tp -67.3 -55.45 13.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.331 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.682 ' CD2' ' HB2' ' A' ' 52' ' ' ALA . 4.4 tp -41.71 -48.87 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.487 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -42.58 -60.63 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.003 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.7 -36.7 74.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.523 ' HB3' ' CD2' ' A' ' 48' ' ' LEU . 46.3 mmtt -59.4 -33.52 71.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.668 HD12 ' O ' ' A' ' 21' ' ' LEU . 1.5 mp -76.19 -53.8 14.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.523 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -47.74 -37.9 14.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.523 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 3.3 mm-40 -68.68 -42.13 78.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.58 ' CE1' HG21 ' A' ' 45' ' ' VAL . 71.0 t80 -55.55 -40.76 72.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 111.032 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.662 HD21 ' CE2' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -59.1 -46.33 88.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -66.84 -17.0 64.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -87.39 -46.56 9.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.578 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 42.6 mmtt -81.57 -14.87 56.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER 55.94 64.27 1.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.476 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -127.0 153.81 45.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.148 . . . . 0.0 111.024 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -111.27 9.62 21.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.439 ' HB2' HD21 ' A' ' 103' ' ' LEU . 11.8 p -167.18 134.07 2.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.801 ' CE1' HD11 ' A' ' 42' ' ' LEU . 34.7 p90 -163.3 170.71 17.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.967 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 1.094 ' CE2' HD12 ' A' ' 103' ' ' LEU . 25.6 m-85 -117.93 145.67 44.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.946 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.484 ' CG ' ' HB3' ' A' ' 80' ' ' PHE . 2.6 tt0 -52.15 -43.28 63.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -61.54 -37.36 83.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.1 -24.0 67.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.801 HD11 ' CE1' ' A' ' 37' ' ' PHE . 11.4 mt -89.4 -23.22 22.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.523 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 38.0 mt-10 -59.13 -32.26 69.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.259 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.2 p -71.72 -12.52 61.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.407 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.58 HG21 ' CE1' ' A' ' 28' ' ' PHE . 33.4 t -77.35 92.25 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.85 -58.34 2.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.8 m -39.26 -41.68 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.035 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.523 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 75.0 mt -73.83 -54.76 7.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.523 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 2.0 mm-40 -45.29 -43.37 10.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -48.09 -24.96 1.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.653 HD23 ' HB2' ' A' ' 21' ' ' LEU . 2.8 tp -98.37 -46.45 5.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.682 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -66.66 -5.75 12.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 49' ' ' GLN . 42.5 t -114.67 -15.52 11.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.963 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -47.32 158.34 0.48 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.454 ' C ' ' CG2' ' A' ' 56' ' ' VAL . 18.3 Cg_endo -75.01 167.83 26.17 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.474 1.776 . . . . 0.0 110.963 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.819 HG11 ' N ' ' A' ' 14' ' ' LEU . 1.8 t . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.502 ' O ' ' CZ ' ' A' ' 78' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.576 HG13 ' N ' ' A' ' 76' ' ' ALA . 13.7 p -61.77 -55.82 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 0.729 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.576 ' N ' HG13 ' A' ' 75' ' ' VAL . . . -52.21 -30.55 27.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.435 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 10.3 mt-30 -65.93 -18.04 65.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.502 ' CZ ' ' O ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -91.68 -30.83 16.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 110.285 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.968 HG13 ' OG1' ' A' ' 18' ' ' THR . 22.4 t -80.82 -36.03 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.484 ' HB3' ' CG ' ' A' ' 39' ' ' GLN . 1.7 m-85 -70.61 -55.61 8.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -52.65 -39.3 61.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.608 ' HB3' HG21 ' A' ' 18' ' ' THR . 80.8 m-20 -70.27 -42.22 72.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.487 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -49.21 -51.94 29.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.653 HD11 ' CE1' ' A' ' 37' ' ' PHE . 3.8 mm? -56.42 -51.41 68.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.71 -56.45 5.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.665 HD11 HG22 ' A' ' 18' ' ' THR . 1.6 mt -49.2 -50.85 36.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.718 HD22 HD13 ' A' ' 92' ' ' LEU . 86.6 mt -49.71 -44.95 48.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.553 ' HG2' HG23 ' A' ' 93' ' ' VAL . 0.1 OUTLIER -65.28 -21.24 66.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.292 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 86' ' ' LEU . 0.8 OUTLIER -86.07 -24.55 26.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.57 -29.63 16.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.418 ' O ' HG21 ' A' ' 107' ' ' THR . . . 105.39 13.5 24.38 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.496 1.122 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.718 HD13 HD22 ' A' ' 87' ' ' LEU . 6.4 mt -75.0 -38.4 61.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.553 HG23 ' HG2' ' A' ' 88' ' ' GLN . 4.3 m -137.85 175.0 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 105' ' ' TYR . 39.7 p90 -162.64 152.85 16.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -122.3 133.2 54.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.514 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -108.57 84.58 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.266 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 3.6 m-20 155.63 -24.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.9 t 63.66 147.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.009 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 131.22 178.26 15.36 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.8 p -93.64 -36.52 12.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.764 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.68 62.49 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -133.69 158.38 43.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 1.094 HD12 ' CE2' ' A' ' 38' ' ' TYR . 5.5 tt -77.42 153.42 33.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.554 ' CE1' ' HB3' ' A' ' 84' ' ' LEU . 42.8 m-85 -113.04 113.11 24.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.577 ' HB2' ' CE1' ' A' ' 94' ' ' PHE . 43.4 m-85 -88.89 137.89 31.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -83.89 163.98 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' A' ' 92' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.398 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 12' ' ' LEU . 10.1 mt . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.6 OUTLIER -170.24 150.97 3.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.778 ' CD2' HG22 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -36.48 -42.45 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.02 -51.33 22.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.242 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -57.46 -58.38 14.9 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.122 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.042 HD23 HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -56.12 -31.72 63.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 0.767 . . . . 0.0 109.328 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.977 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.3 m -67.56 -56.46 9.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.392 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 18' ' ' THR . 32.1 t -36.8 -33.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.029 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.612 ' HG ' HD11 ' A' ' 51' ' ' LEU . 3.0 tp -76.02 -56.19 4.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.852 ' CD2' ' HB2' ' A' ' 52' ' ' ALA . 27.6 tp -42.16 -48.63 4.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.564 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 1.4 p -39.44 -52.54 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 1.5 mt-10 -62.69 -38.48 90.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.891 ' HG3' HD12 ' A' ' 51' ' ' LEU . 2.7 mmtt -57.67 -41.98 82.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.752 HG21 HD11 ' A' ' 84' ' ' LEU . 6.3 mt -74.0 -43.6 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.491 ' HD2' ' CD2' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -61.54 -37.53 84.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 1.8 mm-40 -69.62 -30.14 67.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.346 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.6 ' CE1' ' CE ' ' A' ' 32' ' ' LYS . 79.1 t80 -68.41 -43.53 77.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 111.048 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.761 HD21 ' CE2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -54.6 -57.36 11.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -65.95 -11.61 48.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.33 -38.35 13.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.6 ' CE ' ' CE1' ' A' ' 28' ' ' PHE . 68.1 mmtt -88.49 -12.45 42.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 mptt 58.06 59.34 3.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.471 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -119.2 170.15 9.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -126.03 4.82 7.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.48 ' HB2' HD11 ' A' ' 103' ' ' LEU . 2.9 p -167.04 153.33 8.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.15 . . . . 0.0 110.009 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.761 ' CE2' HD21 ' A' ' 29' ' ' LEU . 11.2 p90 -178.2 170.73 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 1.018 ' CE2' HD23 ' A' ' 103' ' ' LEU . 59.3 m-85 -116.57 153.01 32.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.952 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.466 ' HG3' HD21 ' A' ' 84' ' ' LEU . 29.5 tt0 -59.15 -23.84 62.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.348 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.483 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 6.0 pt20 -78.01 -45.12 24.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.483 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 9.2 mm-40 -55.4 -20.14 11.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.311 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.743 HD11 ' CE1' ' A' ' 37' ' ' PHE . 12.0 mt -98.36 -20.24 17.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.465 ' HA ' ' CZ ' ' A' ' 80' ' ' PHE . 0.9 OUTLIER -68.62 -9.43 49.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 40' ' ' GLN . 6.3 p -100.91 -3.8 28.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.424 ' CG1' ' HG ' ' A' ' 48' ' ' LEU . 69.1 t -89.03 105.56 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 48' ' ' LEU . 1.9 mt-10 -48.94 -58.32 5.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 46' ' ' GLU . 29.9 m -38.09 -31.7 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.976 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.48 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 41.9 mt -87.29 -60.44 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.554 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.1 mt-30 -46.68 -47.4 20.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 110.302 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.79 -22.26 2.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 110.027 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.891 HD12 ' HG3' ' A' ' 24' ' ' LYS . 0.9 OUTLIER -98.95 -54.62 2.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.852 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -65.34 -6.72 10.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.554 ' N ' ' O ' ' A' ' 49' ' ' GLN . 19.4 m -106.87 -18.01 14.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.013 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.506 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -44.98 158.35 0.29 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 110.256 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.649 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.1 Cg_endo -75.02 168.12 25.53 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.472 1.775 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 1.042 HG11 HD23 ' A' ' 17' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.497 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.558 HG13 ' N ' ' A' ' 76' ' ' ALA . 14.8 p -40.89 -54.69 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.558 ' N ' HG13 ' A' ' 75' ' ' VAL . . . -49.34 -43.04 43.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 4.7 mt-30 -59.12 -22.83 61.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.491 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -87.23 -30.82 20.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.977 HG13 ' OG1' ' A' ' 18' ' ' THR . 21.5 t -79.94 -37.61 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.751 ' O ' HD22 ' A' ' 84' ' ' LEU . 2.1 m-85 -62.0 -57.65 10.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -43.08 73.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.821 ' HB3' HG21 ' A' ' 18' ' ' THR . 88.1 m-20 -63.51 -37.66 88.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.564 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -57.99 -57.47 12.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.752 HD11 HG21 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -54.34 -54.23 43.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.341 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -36.16 -56.52 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.252 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.653 HD12 ' O ' ' A' ' 82' ' ' ASN . 0.9 OUTLIER -56.59 -47.78 78.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.691 HD12 HD12 ' A' ' 84' ' ' LEU . 90.6 mt -50.18 -41.35 49.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.595 ' OE1' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -67.18 -25.97 66.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.67 -23.3 42.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.472 ' HB2' HD12 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -92.19 -29.4 16.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.5 25.06 7.92 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.614 HD13 HD22 ' A' ' 87' ' ' LEU . 2.7 mt -86.51 -35.4 19.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.595 HG23 ' OE1' ' A' ' 88' ' ' GLN . 2.4 m -144.75 176.14 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 5.7 p90 -163.75 157.67 19.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 111.0 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -127.28 118.14 23.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 50.2 mtp85 -72.29 -57.39 4.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.65 -20.18 45.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.73 17.66 3.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.976 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -89.62 149.4 20.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.73 -57.13 13.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 0.738 . . . . 0.0 109.974 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -95.34 74.47 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -134.2 -179.59 5.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.588 1.18 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 1.018 HD23 ' CE2' ' A' ' 38' ' ' TYR . 1.4 tm? -85.55 130.71 34.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.84 ' N ' HD13 ' A' ' 103' ' ' LEU . 24.5 m-85 -96.01 120.53 36.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 111.032 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.971 ' CE1' HD12 ' A' ' 103' ' ' LEU . 20.0 m-85 -93.31 123.27 36.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.432 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.4 p -92.16 150.63 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.454 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.427 ' HA ' HD23 ' A' ' 12' ' ' LEU . 10.2 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.455 ' C ' HG21 ' A' ' 56' ' ' VAL . 0.5 OUTLIER -167.88 152.39 6.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.761 HD21 HG22 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -38.03 -43.59 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.69 -55.08 14.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.62 -60.78 8.28 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.051 HD23 HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -51.81 -37.01 49.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 0.791 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.787 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.8 m -64.19 -55.01 24.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.423 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.444 ' HA ' HD13 ' A' ' 86' ' ' LEU . 12.2 t -38.37 -43.86 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.623 ' HG ' HD11 ' A' ' 51' ' ' LEU . 2.4 tp -65.36 -57.0 9.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.842 ' CD2' ' HB2' ' A' ' 52' ' ' ALA . 33.2 tp -41.43 -49.41 3.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.541 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -42.56 -49.14 5.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.03 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -64.85 -33.9 77.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.816 ' HG3' HD12 ' A' ' 51' ' ' LEU . 3.3 mmtt -62.17 -37.84 86.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.803 HG23 ' CD1' ' A' ' 42' ' ' LEU . 1.9 mp -72.9 -52.77 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.519 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -50.96 -37.9 47.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.519 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 1.9 mm-40 -67.17 -42.43 84.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.344 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.556 ' CE2' HD22 ' A' ' 42' ' ' LEU . 62.9 t80 -54.78 -33.09 60.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 111.06 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.837 ' CD1' HG13 ' A' ' 106' ' ' VAL . 9.0 mt -69.89 -48.61 57.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -63.8 -10.78 21.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -94.24 -49.41 5.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.132 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.542 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 22.9 mmtp -80.54 -14.38 58.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 29' ' ' LEU . 4.5 mptt 56.09 64.83 1.6 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.42 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -120.28 160.0 23.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -116.45 7.73 13.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.502 ' HB2' HD11 ' A' ' 103' ' ' LEU . 1.9 p -167.43 146.68 5.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.807 ' CE1' HD11 ' A' ' 42' ' ' LEU . 26.0 p90 -175.87 175.49 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 1.066 ' CE2' HD23 ' A' ' 103' ' ' LEU . 36.5 m-85 -120.16 151.65 38.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.475 ' CG ' ' HB3' ' A' ' 80' ' ' PHE . 1.4 tt0 -60.01 -38.42 82.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.457 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 8.5 pt20 -64.25 -43.84 93.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.457 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 13.9 mm-40 -55.72 -18.12 7.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 110.338 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.807 HD11 ' CE1' ' A' ' 37' ' ' PHE . 9.0 mt -96.79 -24.11 16.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.083 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.508 ' HG2' ' CD2' ' A' ' 80' ' ' PHE . 0.6 OUTLIER -60.44 -18.54 51.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.333 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.2 p -86.48 -12.18 49.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.379 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.575 ' HB ' HD12 ' A' ' 48' ' ' LEU . 36.3 t -78.44 119.34 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 48' ' ' LEU . 6.3 mm-40 -61.61 -63.13 1.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.3 m -39.78 -29.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.575 HD12 ' HB ' ' A' ' 45' ' ' VAL . 69.4 mt -83.39 -60.24 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.539 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.0 mt-30 -46.87 -46.39 21.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.37 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.94 -22.94 2.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.974 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.824 HD13 ' HA ' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -98.65 -55.57 2.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.842 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -63.57 -6.76 5.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.539 ' N ' ' O ' ' A' ' 49' ' ' GLN . 7.7 t -109.99 -17.64 13.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.013 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.499 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -43.36 157.91 0.25 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.246 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.638 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.97 168.96 23.67 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 111.028 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 1.051 HG11 HD23 ' A' ' 17' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 55.7 t -71.96 -68.28 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.421 ' O ' ' HB2' ' A' ' 80' ' ' PHE . . . -48.98 -26.48 2.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -61.68 -24.73 66.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.56 ' HG2' HG23 ' A' ' 79' ' ' VAL . 3.5 ptm180 -86.52 -27.98 23.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.152 . . . . 0.0 110.271 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.787 HG13 ' OG1' ' A' ' 18' ' ' THR . 10.5 t -86.93 -34.12 7.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.508 ' CD2' ' HG2' ' A' ' 43' ' ' GLU . 1.7 m-85 -68.05 -54.26 19.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.28 -41.15 65.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.639 ' HB3' HG21 ' A' ' 18' ' ' THR . 91.5 m-20 -64.82 -40.21 94.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.246 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.541 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -52.88 -56.84 12.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.561 HD11 ' CE1' ' A' ' 37' ' ' PHE . 3.4 mm? -52.86 -53.01 55.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -42.43 -57.04 2.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.762 ' CD1' HG22 ' A' ' 18' ' ' THR . 2.3 mt -49.72 -51.43 38.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.237 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.715 HD22 HD13 ' A' ' 92' ' ' LEU . 80.6 mt -48.21 -49.03 34.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.502 ' OE1' HG23 ' A' ' 93' ' ' VAL . 0.1 OUTLIER -62.6 -23.36 67.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 86' ' ' LEU . 1.1 mm-40 -85.3 -25.54 27.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.88 -28.58 17.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.743 ' O ' HG21 ' A' ' 107' ' ' THR . . . 102.46 21.45 10.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.715 HD13 HD22 ' A' ' 87' ' ' LEU . 7.5 mt -82.8 -31.74 28.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.502 HG23 ' OE1' ' A' ' 88' ' ' GLN . 2.4 m -147.25 176.53 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.652 ' CE1' ' CB ' ' A' ' 105' ' ' TYR . 28.5 p90 -163.24 151.7 13.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.443 ' HG3' ' CD1' ' A' ' 104' ' ' TYR . 39.0 mt-30 -93.19 134.18 35.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.503 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 0.2 OUTLIER -107.94 72.05 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.302 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 0.7 OUTLIER 155.58 -25.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.29 128.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 145.96 128.86 2.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -41.54 -52.24 3.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 109.983 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -99.22 76.34 2.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -136.05 160.57 38.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 1.066 HD23 ' CE2' ' A' ' 38' ' ' TYR . 1.8 tm? -63.37 130.97 46.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.801 ' N ' HD13 ' A' ' 103' ' ' LEU . 30.3 m-85 -98.55 131.57 44.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.907 ' CE1' HD12 ' A' ' 103' ' ' LEU . 3.8 m-85 -103.41 138.06 40.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.837 HG13 ' CD1' ' A' ' 29' ' ' LEU . 0.9 OUTLIER -79.45 161.01 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.743 HG21 ' O ' ' A' ' 91' ' ' GLY . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.396 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.432 ' HA ' HD12 ' A' ' 12' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -163.09 152.3 14.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 1.033 HD12 ' O ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -39.15 -31.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -93.53 -39.08 11.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -64.81 -47.77 79.4 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.111 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.004 HD23 HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -71.59 -33.08 68.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 109.275 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.956 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.2 m -63.19 -46.94 84.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.5 t -42.31 -46.12 4.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.834 HD12 HD11 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -63.97 -50.24 69.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.886 HD23 HG12 ' A' ' 79' ' ' VAL . 7.8 tp -44.0 -45.64 7.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.489 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 17.5 p -43.4 -56.38 3.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.015 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -61.02 -38.67 86.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.544 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . 30.8 mmtt -53.63 -41.34 66.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.679 HG21 HD11 ' A' ' 84' ' ' LEU . 1.5 mp -71.27 -54.97 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.481 ' HD2' ' CD2' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -49.58 -37.11 26.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.41 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 1.5 mm-40 -70.66 -41.77 71.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.359 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.543 ' CE2' HD22 ' A' ' 42' ' ' LEU . 50.5 t80 -53.42 -30.83 42.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.715 ' CD1' HG13 ' A' ' 106' ' ' VAL . 8.3 mt -72.34 -47.62 48.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -63.75 -11.68 28.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -93.7 -49.76 5.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.345 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 22.7 mmtp -80.51 -14.38 58.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' LEU . 17.3 mmtt 56.16 65.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.411 ' HE3' ' CD2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -119.69 168.27 11.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -123.39 6.56 9.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 p -166.74 147.63 6.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.972 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.788 ' CE2' HD11 ' A' ' 42' ' ' LEU . 33.5 p90 -176.66 164.7 2.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.941 ' CE2' HD23 ' A' ' 103' ' ' LEU . 54.1 m-85 -115.03 149.79 36.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.487 ' CG ' ' HB3' ' A' ' 80' ' ' PHE . 1.5 tt0 -54.25 -43.42 70.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.468 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 4.9 pt20 -56.33 -44.66 80.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.468 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 5.1 mm-40 -56.34 -20.62 19.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.788 HD11 ' CE2' ' A' ' 37' ' ' PHE . 8.4 mt -95.93 -23.5 16.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.433 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 1.3 mm-40 -61.61 -27.38 68.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.2 p -93.43 5.89 50.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.406 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.599 HG11 ' CD2' ' A' ' 48' ' ' LEU . 96.1 t -93.86 112.5 26.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 47' ' ' SER . 0.2 OUTLIER -51.24 -57.26 9.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.344 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' GLU . 18.8 m -37.25 -52.77 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.976 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.612 ' HB3' ' CE1' ' A' ' 80' ' ' PHE . 2.0 mm? -67.04 -65.95 0.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.567 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.6 mm-40 -38.27 -50.99 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.5 t -41.56 -27.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.834 HD11 HD12 ' A' ' 20' ' ' LEU . 2.4 tp -100.0 -50.68 3.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.637 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -63.3 -5.72 3.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.567 ' N ' ' O ' ' A' ' 49' ' ' GLN . 4.8 p -107.75 -22.61 12.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.465 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -43.54 156.61 0.28 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.662 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.0 168.27 25.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 1.004 HG11 HD23 ' A' ' 17' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 51.3 t -60.21 -67.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.35 -38.42 19.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.417 ' N ' ' OE2' ' A' ' 43' ' ' GLU . 21.8 mt-30 -54.7 -20.45 8.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.496 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 66.4 mtt180 -92.04 -41.95 10.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.956 HG13 ' OG1' ' A' ' 18' ' ' THR . 33.1 t -66.57 -33.91 66.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.612 ' CE1' ' HB3' ' A' ' 48' ' ' LEU . 2.3 m-85 -67.53 -55.25 14.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -41.56 97.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.791 ' O ' HD12 ' A' ' 86' ' ' LEU . 94.4 m-20 -64.15 -20.17 65.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . -73.84 -44.34 55.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.679 HD11 HG21 ' A' ' 25' ' ' ILE . 2.9 mm? -62.78 -52.69 62.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -38.26 -55.39 1.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.791 HD12 ' O ' ' A' ' 82' ' ' ASN . 1.1 mt -54.63 -51.23 66.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.662 HD12 HD13 ' A' ' 84' ' ' LEU . 87.8 mt -48.76 -41.89 33.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.817 ' OE1' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -66.24 -27.48 67.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -77.72 -25.04 49.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.54 -28.83 18.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.449 ' O ' HG21 ' A' ' 107' ' ' THR . . . 102.27 19.7 13.82 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.629 HD13 HD22 ' A' ' 87' ' ' LEU . 8.5 mt -79.05 -41.23 29.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.817 HG23 ' OE1' ' A' ' 88' ' ' GLN . 1.8 m -137.56 174.29 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.401 ' CE1' ' HB2' ' A' ' 105' ' ' TYR . 48.6 p90 -163.3 154.84 17.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.489 ' NE2' ' CE1' ' A' ' 104' ' ' TYR . 29.8 mt-30 -116.18 118.07 31.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.514 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 0.8 OUTLIER -83.22 62.86 6.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 2.0 m-20 154.93 101.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.31 104.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -171.44 138.4 4.86 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.125 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 m -63.19 -45.75 90.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.83 76.94 2.0 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.2 mmtm -129.36 175.14 8.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.941 HD23 ' CE2' ' A' ' 38' ' ' TYR . 1.2 tm? -81.57 125.45 30.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.76 ' N ' HD13 ' A' ' 103' ' ' LEU . 64.8 m-85 -90.84 93.64 9.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.741 ' CD1' HD12 ' A' ' 103' ' ' LEU . 61.0 m-85 -75.54 140.96 43.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.715 HG13 ' CD1' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -82.88 164.11 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.449 HG21 ' O ' ' A' ' 91' ' ' GLY . 1.2 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.386 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 12' ' ' LEU . 8.8 mt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.679 ' HA ' HG12 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -170.91 155.2 4.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.775 ' N ' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -42.84 -36.42 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.26 -56.21 5.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.08 -53.47 44.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.47 1.106 . . . . 0.0 110.969 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.027 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -53.64 -36.68 62.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 0.744 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.591 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.3 m -68.67 -55.82 10.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.418 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.0 t -41.11 -32.09 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 21' ' ' LEU . 6.3 tp -76.05 -54.2 7.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.792 HD23 HG12 ' A' ' 79' ' ' VAL . 7.0 tp -40.13 -47.69 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.452 ' O ' HD21 ' A' ' 87' ' ' LEU . 70.1 p -40.46 -58.0 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.989 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 1.2 mt-10 -60.97 -32.91 72.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.36 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.781 ' HG3' HD22 ' A' ' 51' ' ' LEU . 8.4 mmtt -63.26 -36.73 84.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.76 HG23 ' CD1' ' A' ' 42' ' ' LEU . 4.8 mt -78.52 -54.17 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.515 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -48.52 -38.64 20.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.515 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 1.9 mm-40 -66.66 -43.3 84.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.57 ' CE1' ' HE3' ' A' ' 32' ' ' LYS . 47.2 t80 -55.99 -26.79 49.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.572 ' CD2' ' CE2' ' A' ' 37' ' ' PHE . 11.3 mt -76.5 -46.96 24.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -63.52 -10.54 18.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -94.22 -50.87 5.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.57 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 8.8 mmtp -80.99 -21.54 40.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.52 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER 55.57 67.52 1.0 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.56 ' SD ' ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -104.86 173.81 6.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -124.5 -6.65 7.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.552 ' HB2' HD21 ' A' ' 103' ' ' LEU . 8.6 p -169.0 136.87 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.977 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.572 ' CE2' ' CD2' ' A' ' 29' ' ' LEU . 8.4 p90 -164.3 168.44 18.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 1.087 ' CZ ' HD12 ' A' ' 103' ' ' LEU . 59.4 m-85 -113.1 154.74 26.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.529 ' HB2' ' CE2' ' A' ' 104' ' ' TYR . 1.5 tt0 -61.01 -36.76 80.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.501 ' O ' HG23 ' A' ' 44' ' ' THR . 11.3 pt20 -62.79 -30.15 71.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.267 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -67.96 -19.04 64.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.76 ' CD1' HG23 ' A' ' 25' ' ' ILE . 9.3 mt -99.12 -22.37 15.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.439 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 1.9 mm-40 -64.18 -27.18 68.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 40' ' ' GLN . 16.6 p -90.05 3.72 52.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.389 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.678 HG11 ' CD2' ' A' ' 48' ' ' LEU . 57.6 t -90.52 130.36 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 47' ' ' SER . 1.3 tt0 -66.83 -59.87 3.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 46' ' ' GLU . 38.1 m -37.27 -49.81 0.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.678 ' CD2' HG11 ' A' ' 45' ' ' VAL . 1.7 mm? -68.33 -67.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 53' ' ' SER . 3.1 mm-40 -38.46 -51.76 1.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.23 -28.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.781 HD22 ' HG3' ' A' ' 24' ' ' LYS . 1.8 tp -99.93 -49.49 4.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.246 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.532 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -61.59 -6.3 2.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 49' ' ' GLN . 69.4 m -113.94 -11.78 12.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.99 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 1.0 OUTLIER -54.02 160.22 2.42 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.457 ' C ' ' CG2' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.99 172.48 16.29 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.421 1.748 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.775 HG11 ' N ' ' A' ' 14' ' ' LEU . 1.9 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.408 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 45.1 t -59.76 -65.6 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.39 -39.75 23.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -54.72 -21.26 10.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.501 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 86.3 mtt-85 -90.41 -40.37 12.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.792 HG12 HD23 ' A' ' 21' ' ' LEU . 40.0 t -67.06 -34.6 70.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.596 ' CZ ' ' HB3' ' A' ' 48' ' ' LEU . 3.1 m-85 -68.59 -54.84 14.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.954 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.414 ' NZ ' ' HB3' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -61.74 -41.94 98.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.586 ' O ' HD12 ' A' ' 86' ' ' LEU . 93.0 m-20 -63.46 -22.78 67.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . -71.36 -50.33 33.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.853 HD13 HD12 ' A' ' 87' ' ' LEU . 3.2 mm? -55.1 -51.0 67.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -38.55 -54.66 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.317 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 82' ' ' ASN . 1.0 OUTLIER -59.39 -41.79 90.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.879 HD22 HD13 ' A' ' 92' ' ' LEU . 90.5 mt -57.25 -43.54 83.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -64.65 -19.53 65.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.255 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -87.96 -26.84 22.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 110.259 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.75 -29.63 22.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.24 17.63 15.34 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.879 HD13 HD22 ' A' ' 87' ' ' LEU . 4.3 mt -78.23 -34.7 49.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.3 m -142.24 176.41 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.59 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 12.8 p90 -162.24 148.81 13.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.466 ' NE2' ' CE1' ' A' ' 104' ' ' TYR . 17.9 mt-30 -119.18 121.58 40.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.409 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 29.4 mtp180 -87.58 55.1 3.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 0.7 OUTLIER 162.91 -49.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.52 168.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.015 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 101' ' ' ASP . . . 132.29 42.85 0.17 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 99' ' ' GLY . 0.9 OUTLIER 37.93 31.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 0.775 . . . . 0.0 110.001 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 99' ' ' GLY . 55.3 p30 -169.06 44.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -135.18 171.21 14.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 1.087 HD12 ' CZ ' ' A' ' 38' ' ' TYR . 6.1 tt -81.74 153.54 26.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.529 ' CE2' ' HB2' ' A' ' 39' ' ' GLN . 46.9 m-85 -111.04 91.89 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.59 ' HB3' ' CZ ' ' A' ' 94' ' ' PHE . 68.4 m-85 -71.25 116.42 11.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.419 ' HB ' HD13 ' A' ' 29' ' ' LEU . 1.8 p -79.77 151.34 4.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 11.3 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.385 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' A' ' 12' ' ' LEU . 9.8 mt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.516 ' C ' HG21 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -161.46 152.86 18.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.526 HD21 HG22 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -39.2 -34.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.22 -48.97 14.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -60.6 -57.26 19.84 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.992 HD23 HG11 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -54.04 -39.72 66.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.34 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.487 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.2 m -60.34 -59.93 4.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 110.434 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 18' ' ' THR . 7.7 t -38.53 -35.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 110.042 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.42 ' HG ' HD21 ' A' ' 51' ' ' LEU . 4.0 tp -71.8 -53.97 11.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.995 ' CD1' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -41.28 -50.45 3.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.498 ' O ' ' HB3' ' A' ' 26' ' ' LYS . 52.5 p -35.23 -58.72 0.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.477 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . 1.7 mm-40 -59.53 -36.67 76.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.616 ' HG3' HD22 ' A' ' 51' ' ' LEU . 23.1 mmtt -64.3 -55.97 17.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.995 HD11 ' CD1' ' A' ' 21' ' ' LEU . 7.2 mt -58.63 -49.47 82.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.511 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -55.56 -39.68 70.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.511 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 1.7 mm-40 -60.93 -42.3 97.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.584 ' CE1' ' HE3' ' A' ' 32' ' ' LYS . 84.5 t80 -56.98 -36.17 70.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.613 HD21 ' CZ ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -61.27 -48.84 79.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -69.86 -14.31 62.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -83.93 -43.46 15.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.616 ' HB2' ' SD ' ' A' ' 34' ' ' MET . 22.3 mmtp -91.54 -23.3 19.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER 58.96 67.57 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.616 ' SD ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -110.35 177.89 4.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 111.042 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -124.41 -5.28 7.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.296 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.743 ' HB2' HD11 ' A' ' 103' ' ' LEU . 0.2 OUTLIER -168.22 142.83 3.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.019 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.675 ' CE1' HD11 ' A' ' 42' ' ' LEU . 38.2 p90 -163.71 161.37 23.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 1.088 ' CE2' HD23 ' A' ' 103' ' ' LEU . 44.6 m-85 -109.92 153.54 24.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.971 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -50.34 -33.8 21.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.408 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 5.4 pt20 -69.62 -41.79 75.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.408 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 16.5 mm-40 -56.06 -17.58 7.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.871 HD13 HG23 ' A' ' 25' ' ' ILE . 11.1 mt -104.24 -18.42 14.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.449 ' O ' ' CD ' ' A' ' 49' ' ' GLN . 8.1 mt-10 -68.0 -6.58 23.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.284 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.1 p -107.82 -2.61 19.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.378 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.498 HG21 ' CZ ' ' A' ' 28' ' ' PHE . 77.2 t -84.92 93.85 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.425 ' C ' ' N ' ' A' ' 48' ' ' LEU . 0.4 OUTLIER -46.59 -58.92 3.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 110.284 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.4 m -41.95 -28.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.974 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.505 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 18.0 mt -90.3 -61.12 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.496 ' O ' ' N ' ' A' ' 53' ' ' SER . 1.9 mt-30 -43.34 -46.29 6.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.57 -26.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.975 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.616 HD22 ' HG3' ' A' ' 24' ' ' LYS . 1.9 tp -98.86 -48.33 4.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.464 ' HB2' HD11 ' A' ' 21' ' ' LEU . . . -62.74 -8.49 6.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 49' ' ' GLN . 57.9 m -113.03 -19.19 11.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -41.72 159.38 0.18 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.641 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.95 169.12 23.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.778 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.992 HG11 HD23 ' A' ' 17' ' ' LEU . 1.2 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.2 t -61.9 -61.91 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 0.79 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.92 -32.78 21.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -62.47 -17.43 59.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.497 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 80.5 mtt-85 -93.93 -29.76 15.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.344 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.778 HG12 HD12 ' A' ' 21' ' ' LEU . 20.7 t -77.93 -32.43 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.475 ' O ' HD12 ' A' ' 84' ' ' LEU . 1.3 m-85 -76.79 -30.55 56.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.43 ' NZ ' ' HB3' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -86.25 -37.53 18.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 78' ' ' ARG . 87.0 m-20 -71.31 -45.41 63.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.548 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . . . -58.75 -42.04 87.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.704 HD23 HD12 ' A' ' 87' ' ' LEU . 45.4 mt -62.94 -32.78 74.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.9 -57.91 10.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 83' ' ' ALA . 1.2 mp -48.82 -42.42 36.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.831 HD22 HD13 ' A' ' 92' ' ' LEU . 79.6 mt -53.54 -44.07 68.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.357 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.424 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 6.5 mt-30 -65.68 -21.22 66.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -86.36 -30.83 21.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.44 ' HB2' HD12 ' A' ' 92' ' ' LEU . 1.2 mttm -83.53 -29.97 27.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.94 16.64 16.32 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.461 1.101 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.831 HD13 HD22 ' A' ' 87' ' ' LEU . 3.1 mt -76.79 -31.43 56.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 88' ' ' GLN . 1.2 m -146.33 172.49 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.582 ' CD1' ' HB2' ' A' ' 105' ' ' TYR . 39.9 p90 -163.81 145.99 9.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.442 ' OE1' ' CE2' ' A' ' 104' ' ' TYR . 22.1 mt-30 -117.05 136.58 52.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.245 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -96.28 -45.84 6.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.15 -21.31 61.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.03 166.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.097 . . . . 0.0 109.988 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 106.84 149.93 16.71 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.456 1.098 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.7 t -68.55 142.44 55.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 109.989 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 44.7 t0 63.89 53.86 1.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.538 ' O ' ' CD1' ' A' ' 104' ' ' TYR . 27.3 mmtt -124.35 175.33 7.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 1.088 HD23 ' CE2' ' A' ' 38' ' ' TYR . 1.3 tm? -75.33 124.06 26.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.538 ' CD1' ' O ' ' A' ' 102' ' ' LYS . 59.6 m-85 -102.64 114.26 28.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.867 ' CE1' HD12 ' A' ' 103' ' ' LEU . 20.5 m-30 -80.62 124.22 28.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.573 HG22 ' CE2' ' A' ' 37' ' ' PHE . 1.6 t -67.15 163.54 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.416 HG21 ' HA ' ' A' ' 92' ' ' LEU . 9.7 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.404 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.44 ' HA ' HD23 ' A' ' 12' ' ' LEU . 9.9 mt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.492 ' C ' HG21 ' A' ' 56' ' ' VAL . 1.7 m-20 -166.75 155.88 10.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.965 HD12 ' O ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -37.52 -40.55 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.34 -47.69 19.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -57.22 -54.99 32.8 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.058 HD23 HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -63.52 -28.93 70.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 109.301 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.906 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.0 OUTLIER -66.52 -51.2 59.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.398 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 18' ' ' THR . 22.7 t -38.47 -37.36 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.556 HD12 HD11 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -73.44 -55.22 6.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.984 HD23 HG12 ' A' ' 79' ' ' VAL . 13.9 tp -42.66 -43.15 3.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.676 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 5.2 p -39.14 -55.98 1.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.04 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.59 -37.42 86.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.757 ' HG3' HD22 ' A' ' 51' ' ' LEU . 21.9 mmtt -55.0 -40.76 70.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.597 HG21 ' CD2' ' A' ' 84' ' ' LEU . 1.3 mp -72.12 -51.5 30.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.497 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -55.96 -39.11 71.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.497 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 1.4 mm-40 -65.41 -44.41 87.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.699 ' CZ ' HG21 ' A' ' 45' ' ' VAL . 76.7 t80 -50.4 -35.57 28.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 33' ' ' LYS . 9.1 mt -66.81 -46.34 75.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -63.55 -14.14 48.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -94.0 -48.21 6.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.568 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 16.6 mmtp -79.83 -16.11 56.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 29' ' ' LEU . 8.4 mttt 57.74 65.7 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.405 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -128.76 146.41 50.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 110.981 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.519 ' HA ' HG13 ' A' ' 106' ' ' VAL . 27.3 mt-30 -106.6 8.53 31.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 p -166.7 136.76 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.601 ' CD2' HD21 ' A' ' 42' ' ' LEU . 37.0 p90 -166.62 -176.1 3.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.955 ' CZ ' HD23 ' A' ' 103' ' ' LEU . 91.9 m-85 -128.77 147.7 50.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.727 ' HA ' HD23 ' A' ' 42' ' ' LEU . 2.4 tt0 -53.4 -24.87 13.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.5 ' O ' HG23 ' A' ' 44' ' ' THR . 6.6 pt20 -74.54 -13.22 60.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.533 ' O ' HG23 ' A' ' 45' ' ' VAL . 18.7 mm-40 -83.63 -14.27 52.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.874 HD22 ' N ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -106.69 -20.85 13.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.471 ' OE2' ' CD2' ' A' ' 80' ' ' PHE . 5.5 mm-40 -65.24 -28.34 69.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 40' ' ' GLN . 3.1 p -93.94 -1.83 54.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.417 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.699 HG21 ' CZ ' ' A' ' 28' ' ' PHE . 99.0 t -89.32 106.68 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 47' ' ' SER . 0.0 OUTLIER -47.58 -54.36 11.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.292 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -38.11 -51.27 1.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.948 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.645 ' HB3' ' CE1' ' A' ' 80' ' ' PHE . 2.4 mm? -67.49 -65.84 0.64 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.558 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.0 mt-30 -38.11 -48.45 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.6 t -42.84 -28.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.005 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.816 HD23 ' HB2' ' A' ' 21' ' ' LEU . 1.7 tp -100.2 -50.66 3.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.476 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -61.43 -8.39 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.558 ' N ' ' O ' ' A' ' 49' ' ' GLN . 51.7 p -108.48 -23.8 11.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.995 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.472 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.7 OUTLIER -39.58 159.5 0.12 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.663 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.98 166.34 29.42 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 1.058 HG11 HD23 ' A' ' 17' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.495 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 79' ' ' VAL . 77.5 t -43.09 -42.73 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.28 -43.43 98.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.495 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 10.8 mt-30 -52.45 -20.14 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.463 ' NH1' ' C ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -89.87 -32.32 16.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.286 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.984 HG12 HD23 ' A' ' 21' ' ' LEU . 12.8 t -77.61 -37.68 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.645 ' CE1' ' HB3' ' A' ' 48' ' ' LEU . 7.8 m-85 -64.1 -49.34 72.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 111.041 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -43.93 85.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.475 ' HB3' HG21 ' A' ' 18' ' ' THR . 91.5 m-20 -60.39 -44.47 95.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.676 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -53.86 -47.32 71.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.683 HD23 HD12 ' A' ' 87' ' ' LEU . 17.6 mt -57.53 -51.12 70.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.8 OUTLIER -37.64 -56.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.447 HD11 HG22 ' A' ' 18' ' ' THR . 1.0 OUTLIER -54.32 -46.68 72.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.787 HD22 HD13 ' A' ' 92' ' ' LEU . 73.4 mt -49.91 -44.75 50.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -64.12 -25.18 67.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.257 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -80.49 -34.64 35.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.44 ' HB2' HD12 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -79.57 -28.82 41.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.14 17.8 17.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.787 HD13 HD22 ' A' ' 87' ' ' LEU . 3.1 mt -76.3 -37.03 58.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 0.738 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 105' ' ' TYR . 1.3 m -139.76 176.24 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 6.5 p90 -162.86 146.23 11.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -107.93 127.33 53.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -101.31 -66.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.097 . . . . 0.0 110.282 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 98' ' ' SER . 60.0 m-20 -52.91 -23.82 7.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 97' ' ' ASP . 0.4 OUTLIER 61.0 141.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.411 ' CA ' ' HG3' ' A' ' 102' ' ' LYS . . . 133.25 159.04 8.96 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.537 1.148 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.2 p -58.94 -73.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.753 . . . . 0.0 109.975 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -79.13 75.45 5.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.411 ' HG3' ' CA ' ' A' ' 99' ' ' GLY . 37.2 mmtt -132.45 163.84 27.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.955 HD23 ' CZ ' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -75.94 127.56 33.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.806 ' N ' HD13 ' A' ' 103' ' ' LEU . 55.0 m-85 -95.23 104.06 15.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.865 ' CD1' HD12 ' A' ' 103' ' ' LEU . 22.5 m-30 -73.83 126.82 31.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.519 HG13 ' HA ' ' A' ' 35' ' ' GLN . 0.7 OUTLIER -101.18 147.35 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 106' ' ' VAL . 1.7 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.39 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 12' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.608 ' HA ' HG12 ' A' ' 56' ' ' VAL . 0.1 OUTLIER 174.84 158.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.819 ' N ' HG11 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -41.82 -28.32 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 13' ' ' ASP . . . -94.01 -38.49 11.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -66.03 -51.56 44.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.901 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -66.68 -32.96 74.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.685 ' OG1' HG13 ' A' ' 79' ' ' VAL . 0.9 OUTLIER -60.81 -56.12 24.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 110.394 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.4 t -39.98 -45.6 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.972 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.65 HD12 HD11 ' A' ' 51' ' ' LEU . 1.4 tm? -61.92 -50.45 72.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.04 HD23 HG12 ' A' ' 79' ' ' VAL . 7.3 tp -47.59 -44.15 26.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.477 ' O ' HD21 ' A' ' 87' ' ' LEU . 3.5 p -43.22 -50.74 6.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.972 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 4.2 mt-10 -65.08 -30.18 71.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.721 ' HB2' HD12 ' A' ' 21' ' ' LEU . 12.3 mmtt -65.94 -42.32 90.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.729 HG21 HD21 ' A' ' 84' ' ' LEU . 3.0 mt -73.13 -45.39 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.512 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -58.99 -38.61 79.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.512 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 4.7 mm-40 -69.73 -44.84 69.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.812 ' CE1' HG21 ' A' ' 45' ' ' VAL . 77.9 t80 -43.73 -39.58 3.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.729 HD22 ' O ' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -61.43 -46.08 91.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -66.87 -15.39 63.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -90.43 -48.15 7.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.571 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 24.1 mmtp -80.95 -16.41 53.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER 57.8 64.68 1.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.457 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -127.56 143.11 51.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 110.985 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -96.16 1.11 52.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.412 ' CB ' HD11 ' A' ' 103' ' ' LEU . 0.3 OUTLIER -165.04 141.14 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.984 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.563 ' CD2' HD21 ' A' ' 42' ' ' LEU . 44.5 p90 -165.17 -179.48 5.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 1.0 ' CZ ' HD23 ' A' ' 103' ' ' LEU . 97.4 m-85 -125.8 149.27 48.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.742 ' HA ' HD23 ' A' ' 42' ' ' LEU . 26.6 tt0 -53.18 -25.8 15.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.503 ' O ' HG23 ' A' ' 44' ' ' THR . 6.3 pt20 -73.37 -13.95 61.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.563 ' O ' HG23 ' A' ' 45' ' ' VAL . 14.7 mm-40 -83.24 -10.75 58.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.884 HD22 ' N ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -110.14 -21.22 12.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.471 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 39.2 mt-10 -65.0 -29.91 70.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 40' ' ' GLN . 2.2 p -93.48 -2.69 54.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 110.362 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.812 HG21 ' CE1' ' A' ' 28' ' ' PHE . 95.9 t -87.51 96.93 6.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -40.85 -49.29 3.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.261 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.63 -50.7 4.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.991 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.636 ' HB3' ' CE1' ' A' ' 80' ' ' PHE . 2.7 mm? -69.39 -64.3 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.544 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.0 mm-40 -39.83 -48.44 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.263 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.87 -27.8 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.675 HD23 ' HB2' ' A' ' 21' ' ' LEU . 2.4 tp -99.97 -46.78 5.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.639 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -66.69 -3.07 5.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.544 ' N ' ' O ' ' A' ' 49' ' ' GLN . 24.0 t -113.94 -13.58 12.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.995 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.426 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -51.11 159.08 1.09 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.443 ' C ' ' CG2' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.04 168.34 25.03 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.819 HG11 ' N ' ' A' ' 14' ' ' LEU . 1.7 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.452 ' O ' HG23 ' A' ' 79' ' ' VAL . 50.2 t -43.16 -62.39 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 0.773 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.2 -49.09 61.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -51.48 -31.02 22.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.285 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.52 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 74.6 mtt-85 -77.72 -33.97 52.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 1.04 HG12 HD23 ' A' ' 21' ' ' LEU . 21.2 t -72.84 -32.7 41.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.636 ' CE1' ' HB3' ' A' ' 48' ' ' LEU . 5.4 m-85 -69.94 -35.99 74.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.504 ' CB ' ' OE1' ' A' ' 39' ' ' GLN . 0.1 OUTLIER -79.78 -45.98 17.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.66 ' O ' HD12 ' A' ' 86' ' ' LEU . 86.2 m-20 -61.17 -30.35 70.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.9 -42.22 70.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.729 HD21 HG21 ' A' ' 25' ' ' ILE . 23.5 mt -62.65 -47.85 81.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -41.17 -54.87 2.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 82' ' ' ASN . 1.1 mp -52.54 -44.48 65.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.699 HD12 HD23 ' A' ' 84' ' ' LEU . 29.0 mt -51.9 -45.75 64.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -64.91 -20.21 66.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -87.6 -29.63 21.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.448 ' HB2' HD12 ' A' ' 92' ' ' LEU . 6.9 mttm -85.49 -29.45 24.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.13 16.24 19.36 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.483 1.115 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.684 HD13 HD22 ' A' ' 87' ' ' LEU . 3.1 mt -76.97 -33.62 57.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.425 ' HA ' ' O ' ' A' ' 105' ' ' TYR . 1.2 m -142.14 172.49 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.24 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 31.8 p90 -162.25 148.54 13.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.535 ' OE1' ' CE1' ' A' ' 104' ' ' TYR . 33.4 mt-30 -115.79 118.13 32.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.264 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.405 ' O ' ' CG ' ' A' ' 97' ' ' ASP . 2.5 mtt180 -105.61 75.67 1.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 96' ' ' ARG . 4.0 m-20 175.3 -35.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.0 p 77.06 116.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.974 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 162.13 179.41 36.75 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.546 1.154 . . . . 0.0 111.046 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.8 p -93.85 -59.66 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 109.979 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -88.27 79.03 7.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -136.17 166.19 23.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 1.0 HD23 ' CZ ' ' A' ' 38' ' ' TYR . 1.1 tm? -75.99 127.07 32.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.81 ' N ' HD13 ' A' ' 103' ' ' LEU . 64.3 m-85 -91.94 104.81 17.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.886 ' CD1' HD12 ' A' ' 103' ' ' LEU . 23.3 m-30 -75.15 132.29 41.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.426 HG22 ' CE1' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -85.78 162.06 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 92' ' ' LEU . 4.9 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.374 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.475 ' HA ' HD23 ' A' ' 12' ' ' LEU . 7.7 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.436 ' C ' HG21 ' A' ' 56' ' ' VAL . 3.1 p-10 -174.79 155.62 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.87 HD12 ' O ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -37.43 -47.34 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.25 -55.5 15.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.075 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.41 -59.62 9.35 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.089 HD23 HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -55.26 -36.98 66.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.704 HG22 HD11 ' A' ' 86' ' ' LEU . 1.7 m -62.94 -52.67 62.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.424 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.42 ' HA ' HD13 ' A' ' 86' ' ' LEU . 8.4 t -40.75 -50.62 3.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.041 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.68 ' HG ' HD11 ' A' ' 51' ' ' LEU . 3.9 tp -57.47 -57.28 13.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.822 ' HA ' HD13 ' A' ' 51' ' ' LEU . 19.7 tp -41.72 -48.28 4.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.502 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 4.1 p -41.38 -52.23 3.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 110.025 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 3.6 mt-10 -63.5 -34.9 78.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.909 ' HG3' HD12 ' A' ' 51' ' ' LEU . 3.5 mmtt -61.6 -43.95 97.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.678 HG23 ' HG ' ' A' ' 42' ' ' LEU . 5.0 mt -73.02 -47.82 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.515 ' HD2' ' CD2' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -56.18 -37.11 69.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 23' ' ' GLU . 1.4 mm-40 -66.77 -42.36 86.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.573 ' CE1' ' HE3' ' A' ' 32' ' ' LYS . 83.6 t80 -54.69 -28.85 50.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 33' ' ' LYS . 9.7 mt -71.07 -48.75 50.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -64.56 -11.93 39.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -93.76 -47.05 6.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.573 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 14.5 mmtp -83.02 -10.71 58.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER 48.47 61.72 2.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.464 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -112.01 158.57 19.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 111.054 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -109.73 -0.75 18.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.253 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.418 ' CB ' HD11 ' A' ' 103' ' ' LEU . 0.3 OUTLIER -166.6 150.71 7.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.972 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.638 ' O ' HD22 ' A' ' 103' ' ' LEU . 43.6 p90 -174.06 -175.41 1.03 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.956 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.945 ' CZ ' HD23 ' A' ' 103' ' ' LEU . 82.9 m-85 -130.16 145.61 51.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.678 ' HA ' HD23 ' A' ' 42' ' ' LEU . 1.8 tt0 -52.48 -29.39 24.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.445 ' O ' HG23 ' A' ' 44' ' ' THR . 3.9 pt20 -71.94 -13.48 61.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.318 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.458 ' C ' HD22 ' A' ' 42' ' ' LEU . 5.9 mm-40 -83.66 -10.26 58.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.827 HD22 ' N ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -103.1 -23.63 13.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.505 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 3.6 mm-40 -66.65 -23.59 66.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 40' ' ' GLN . 9.0 p -82.16 -17.31 46.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.455 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.848 ' HB ' HD12 ' A' ' 48' ' ' LEU . 38.4 t -81.07 111.11 17.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -52.86 -62.52 1.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.5 m -38.79 -30.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.082 . . . . 0.0 109.976 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.848 HD12 ' HB ' ' A' ' 45' ' ' VAL . 88.8 mt -84.36 -56.99 3.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 2.0 mt-30 -47.53 -44.17 25.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.245 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.405 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 4.9 t -53.6 -21.15 6.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.983 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.909 HD12 ' HG3' ' A' ' 24' ' ' LYS . 0.6 OUTLIER -98.45 -54.37 3.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.808 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -65.88 -4.94 7.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 49' ' ' GLN . 40.2 p -111.73 -14.95 13.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.995 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 1.8 mtt180 -47.98 157.87 0.6 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.641 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.01 169.51 22.47 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.45 1.763 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 1.089 HG11 HD23 ' A' ' 17' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.247 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.574 HG13 ' N ' ' A' ' 76' ' ' ALA . 11.3 p -71.6 -56.0 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.574 ' N ' HG13 ' A' ' 75' ' ' VAL . . . -60.68 -24.05 65.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -64.15 -28.26 69.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.553 ' HG2' HG23 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -81.12 -26.44 36.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.699 HG13 ' OG1' ' A' ' 18' ' ' THR . 6.5 t -88.53 -35.04 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.516 ' CE2' ' HB3' ' A' ' 52' ' ' ALA . 1.9 m-85 -70.6 -51.82 25.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.142 . . . . 0.0 110.967 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 82' ' ' ASN . 0.3 OUTLIER -55.6 -38.62 69.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.655 ' HB3' HG21 ' A' ' 18' ' ' THR . 92.0 m-20 -68.35 -40.07 81.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.502 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -51.77 -58.07 7.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.634 HD13 HD12 ' A' ' 87' ' ' LEU . 3.6 mm? -50.44 -51.43 46.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.64 -61.57 1.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.704 HD11 HG22 ' A' ' 18' ' ' THR . 1.3 mt -45.66 -51.38 12.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.634 HD12 HD13 ' A' ' 84' ' ' LEU . 49.3 mt -46.97 -42.72 18.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.763 ' OE1' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -65.68 -29.12 69.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.291 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 86' ' ' LEU . 0.7 OUTLIER -75.86 -25.4 56.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.541 ' HB2' HD12 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -89.7 -30.18 18.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 106.36 9.07 32.17 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.525 1.141 . . . . 0.0 111.043 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.577 HD13 HD22 ' A' ' 87' ' ' LEU . 2.0 mt -67.39 -46.9 71.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.763 HG23 ' OE1' ' A' ' 88' ' ' GLN . 3.2 m -132.08 178.1 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.576 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 20.4 p90 -163.53 156.76 18.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -119.92 133.68 55.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -108.23 -53.12 2.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -57.86 -22.08 46.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.2 m 62.08 131.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 110.018 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 136.39 144.27 4.81 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 t -54.47 -58.54 7.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.006 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -85.01 67.39 10.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -130.61 168.2 17.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.945 HD23 ' CZ ' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -77.66 125.38 29.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.787 ' N ' HD13 ' A' ' 103' ' ' LEU . 26.6 m-85 -91.69 110.98 22.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 111.049 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.872 ' CD1' HD12 ' A' ' 103' ' ' LEU . 22.5 m-30 -81.35 127.27 32.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.951 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.5 p -95.78 147.19 6.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.441 ' HA ' HD23 ' A' ' 12' ' ' LEU . 9.3 mt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.452 ' C ' HG21 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -163.11 151.0 13.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.494 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -38.75 -32.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 13' ' ' ASP . . . -84.31 -48.22 9.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -58.47 -54.54 36.88 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.533 1.145 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.026 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -62.45 -28.24 69.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.455 HG21 ' HB3' ' A' ' 82' ' ' ASN . 0.9 OUTLIER -66.73 -55.47 14.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.367 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.4 t -41.41 -46.17 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.988 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.045 HD13 HD11 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -62.07 -54.78 36.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.842 ' CD2' ' HB2' ' A' ' 52' ' ' ALA . 30.9 tp -48.6 -47.53 39.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.504 ' O ' HD21 ' A' ' 87' ' ' LEU . 6.1 p -39.98 -54.62 2.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.003 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.93 -38.29 81.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.763 ' HG3' HD12 ' A' ' 51' ' ' LEU . 7.7 mmtt -57.82 -39.59 77.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.569 HG23 ' CD1' ' A' ' 42' ' ' LEU . 4.1 mt -72.96 -52.02 24.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.505 ' HB2' ' HG ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -55.33 -35.77 65.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -71.74 -35.02 69.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.083 . . . . 0.0 110.301 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.595 ' CE2' ' HG3' ' A' ' 32' ' ' LYS . 69.9 t80 -62.38 -39.08 92.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.497 HD21 ' CE2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -58.38 -52.88 63.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -65.44 -11.82 46.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -90.89 -39.3 12.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.595 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 20.0 mmtp -90.02 -13.83 35.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 56.69 65.11 1.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.456 ' CE ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -125.82 157.28 37.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 110.955 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -116.51 10.62 14.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.3 p -166.85 145.95 5.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.977 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.752 ' CE1' HD11 ' A' ' 42' ' ' LEU . 30.0 p90 -178.1 163.81 1.75 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 111.048 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 1.009 ' CE2' HD23 ' A' ' 103' ' ' LEU . 48.5 m-85 -114.61 163.83 14.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -62.54 -26.63 68.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.452 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 10.4 pt20 -73.7 -43.77 58.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.34 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.452 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 4.6 mm-40 -56.08 -18.64 10.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.752 HD11 ' CE1' ' A' ' 37' ' ' PHE . 11.2 mt -103.15 -17.74 15.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.426 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 12.1 mm-40 -68.09 -8.54 38.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.7 p -105.12 -2.11 24.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.408 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.467 HG23 ' HA ' ' A' ' 42' ' ' LEU . 53.2 t -86.13 107.65 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -54.25 -63.51 1.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.5 OUTLIER -38.06 -31.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.994 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.515 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 14.1 mt -84.37 -60.52 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.559 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.0 mt-30 -46.39 -47.34 18.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.62 -23.15 1.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.942 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 1.045 HD11 HD13 ' A' ' 20' ' ' LEU . 1.3 tt -98.83 -55.09 2.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.107 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.842 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -64.4 -5.92 6.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.559 ' N ' ' O ' ' A' ' 49' ' ' GLN . 22.7 t -107.24 -20.32 13.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.079 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.501 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -42.08 157.42 0.22 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.243 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.675 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.02 169.87 21.67 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.799 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 1.0 HG11 HD23 ' A' ' 17' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.57 HG13 ' N ' ' A' ' 76' ' ' ALA . 10.6 p -70.16 -54.65 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.57 ' N ' HG13 ' A' ' 75' ' ' VAL . . . -62.04 -26.47 68.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -58.88 -21.25 56.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' A' ' 75' ' ' VAL . 7.7 ptp180 -89.65 -33.36 16.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.253 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.528 HG23 ' HG2' ' A' ' 78' ' ' ARG . 3.7 t -81.75 -32.56 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.493 ' CE2' ' HB3' ' A' ' 52' ' ' ALA . 2.0 m-85 -69.36 -45.31 69.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -39.25 90.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.455 ' HB3' HG21 ' A' ' 18' ' ' THR . 73.6 m-20 -69.36 -45.38 69.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.94 -43.52 69.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.532 ' CD2' HG21 ' A' ' 25' ' ' ILE . 47.6 mt -62.52 -33.53 75.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.65 -55.73 30.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.564 HD22 ' H ' ' A' ' 86' ' ' LEU . 3.1 mm? -49.96 -43.64 50.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.504 HD21 ' O ' ' A' ' 22' ' ' SER . 5.4 mt -54.19 -51.34 64.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.446 ' HG2' HG23 ' A' ' 93' ' ' VAL . 9.4 mt-30 -57.32 -19.38 22.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -93.67 -29.08 15.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.632 ' HB2' HD23 ' A' ' 92' ' ' LEU . 1.3 mttm -83.34 -14.11 53.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.66 7.65 61.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.632 HD23 ' HB2' ' A' ' 90' ' ' LYS . 4.1 mm? -64.54 -56.07 16.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.248 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.446 HG23 ' HG2' ' A' ' 88' ' ' GLN . 2.8 m -124.18 -180.0 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.503 ' CE1' ' HB2' ' A' ' 105' ' ' TYR . 12.7 p90 -161.46 145.02 12.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -105.55 125.36 50.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.289 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -82.55 -50.91 8.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.53 111.4 24.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.11 134.9 17.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 150.94 133.51 2.07 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.469 1.106 . . . . 0.0 111.03 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 m -81.8 56.32 3.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 0.772 . . . . 0.0 109.977 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.9 t0 178.75 49.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -127.96 156.46 42.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 1.009 HD23 ' CE2' ' A' ' 38' ' ' TYR . 1.1 tm? -61.96 122.17 14.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.724 ' N ' HD13 ' A' ' 103' ' ' LEU . 81.1 m-85 -83.15 105.27 13.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.822 ' CD1' HD12 ' A' ' 103' ' ' LEU . 36.4 m-85 -84.72 135.58 34.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -80.59 164.9 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 92' ' ' LEU . 8.7 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 110.405 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.429 ' HA ' HD23 ' A' ' 12' ' ' LEU . 9.1 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.524 ' C ' HG21 ' A' ' 56' ' ' VAL . 0.5 OUTLIER -164.93 153.45 12.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.542 ' CD2' HG22 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -37.43 -37.82 0.21 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.41 ' O ' ' HB ' ' A' ' 18' ' ' THR . . . -75.83 -50.75 14.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.234 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -57.19 -56.58 24.3 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.07 HD23 HG11 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -58.77 -29.87 67.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.701 HG21 ' HB3' ' A' ' 82' ' ' ASN . 1.0 OUTLIER -66.9 -56.14 11.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 18' ' ' THR . 29.0 t -38.67 -38.5 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 tp -70.41 -58.88 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.808 HD23 HG12 ' A' ' 79' ' ' VAL . 6.8 tp -41.15 -44.58 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.873 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -44.77 -48.57 10.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.566 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . 4.8 mt-10 -67.55 -27.65 67.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.936 ' HG3' HD22 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -71.51 -40.29 70.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.769 HD11 ' CD1' ' A' ' 80' ' ' PHE . 3.2 mt -75.82 -44.51 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.566 ' CE ' ' HA ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -60.21 -39.75 87.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.529 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 4.6 mm-40 -67.41 -45.31 76.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.338 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.824 ' CE1' HG21 ' A' ' 45' ' ' VAL . 82.3 t80 -48.29 -34.68 10.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.956 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.803 HD21 ' CZ ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -61.62 -47.76 83.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -71.32 -13.13 61.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -90.07 -39.71 12.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.587 ' HG3' ' CZ ' ' A' ' 28' ' ' PHE . 51.6 mmtt -89.19 -13.53 38.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt 55.09 58.71 4.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.497 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -117.52 158.8 23.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -112.9 2.54 15.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.343 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.3 p -166.6 148.94 6.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.803 ' CZ ' HD21 ' A' ' 29' ' ' LEU . 14.3 p90 -177.83 -178.23 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.066 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.987 ' CZ ' HD23 ' A' ' 103' ' ' LEU . 90.6 m-85 -128.23 147.82 50.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.72 ' HA ' HD23 ' A' ' 42' ' ' LEU . 1.9 tm0? -53.18 -19.49 3.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -80.05 -14.19 58.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.418 ' C ' HD22 ' A' ' 42' ' ' LEU . 18.1 mm-40 -83.29 -10.38 58.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.276 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.885 HD22 ' N ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -106.25 -22.5 12.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.442 ' O ' ' CD ' ' A' ' 49' ' ' GLN . 2.4 mm-40 -64.86 -18.55 65.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.1 p -96.19 -10.4 28.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 110.389 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.824 HG21 ' CE1' ' A' ' 28' ' ' PHE . 76.9 t -80.47 95.25 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.44 -52.33 10.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 73.9 m -48.18 -24.2 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.995 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' ' 42' ' ' LEU . 61.0 mt -95.01 -57.08 2.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.496 ' O ' ' N ' ' A' ' 53' ' ' SER . 1.9 mt-30 -43.37 -42.81 4.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.71 -24.51 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.013 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.936 HD22 ' HG3' ' A' ' 24' ' ' LYS . 2.3 tp -98.28 -49.23 4.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.539 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -64.35 -7.08 8.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 49' ' ' GLN . 35.0 t -109.33 -20.68 12.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.967 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.7 OUTLIER -44.36 159.55 0.25 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.289 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.584 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.1 Cg_endo -75.06 167.92 25.94 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 1.07 HG11 HD23 ' A' ' 17' ' ' LEU . 1.4 p . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.514 ' O ' ' CZ ' ' A' ' 78' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.575 HG13 ' N ' ' A' ' 76' ' ' ALA . 13.2 p -63.91 -56.25 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.575 ' N ' HG13 ' A' ' 75' ' ' VAL . . . -50.54 -31.86 16.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -64.41 -22.83 67.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.514 ' CZ ' ' O ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -86.32 -30.81 21.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.808 HG12 HD23 ' A' ' 21' ' ' LEU . 25.5 t -80.53 -41.72 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.769 ' CD1' HD11 ' A' ' 25' ' ' ILE . 2.1 m-85 -66.02 -59.55 3.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.77 -35.8 23.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.701 ' HB3' HG21 ' A' ' 18' ' ' THR . 78.4 m-20 -67.56 -45.81 74.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.873 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -47.83 -56.38 7.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.559 ' HG ' ' CD2' ' A' ' 104' ' ' TYR . 3.0 mm? -50.55 -49.76 55.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -46.94 -57.58 4.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.349 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.525 HD11 HG22 ' A' ' 18' ' ' THR . 1.0 OUTLIER -56.97 -47.57 80.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.597 HD13 ' HB2' ' A' ' 22' ' ' SER . 0.0 OUTLIER -46.74 -49.77 19.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -57.83 -39.45 77.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -64.98 -32.28 73.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.435 ' NZ ' ' HB3' ' A' ' 86' ' ' LEU . 5.2 mttp -83.83 -27.34 28.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.17 11.74 33.24 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.466 1.104 . . . . 0.0 110.965 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 87' ' ' LEU . 4.1 mt -68.22 -41.84 80.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.789 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 105' ' ' TYR . 2.9 m -135.83 178.12 5.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 18.9 p90 -161.58 148.47 14.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -108.6 139.43 43.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.564 ' HG3' ' CE2' ' A' ' 105' ' ' TYR . 19.7 mtm180 -109.58 38.99 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.68 108.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.41 107.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.056 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -167.41 170.58 41.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.463 1.102 . . . . 0.0 111.045 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.34 -19.34 20.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.756 . . . . 0.0 110.035 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.3 89.64 2.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.0 mmtm -136.69 178.35 7.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.987 HD23 ' CZ ' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -80.37 122.72 27.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.752 ' N ' HD13 ' A' ' 103' ' ' LEU . 30.4 m-85 -89.99 91.1 8.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.654 ' CD1' HD12 ' A' ' 103' ' ' LEU . 63.4 m-85 -70.87 116.97 11.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.415 ' H ' HG12 ' A' ' 106' ' ' VAL . 1.2 p -75.73 156.14 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 92' ' ' LEU . 2.2 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.399 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 12' ' ' LEU . 3.2 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.743 ' OD2' ' HB3' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -179.48 155.82 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.824 HD11 ' ND2' ' A' ' 82' ' ' ASN . 6.0 tp -36.08 -33.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.743 ' HB3' ' OD2' ' A' ' 13' ' ' ASP . . . -78.7 -55.33 5.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -60.17 -43.86 97.97 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.91 HD12 HG11 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -60.65 -27.89 68.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 0.783 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.637 HG23 ' HA ' ' A' ' 83' ' ' ALA . 1.3 m -76.91 -55.5 5.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.362 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.4 t -43.39 -39.98 3.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.968 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.895 ' HG ' HD11 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -71.26 -65.43 0.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.963 ' CD1' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -41.34 -52.7 3.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 1.072 ' O ' HD21 ' A' ' 87' ' ' LEU . 45.4 p -37.97 -34.99 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 110.032 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 20' ' ' LEU . 5.7 mm-40 -80.55 -43.25 20.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.978 ' HG3' HD12 ' A' ' 51' ' ' LEU . 1.7 mmpt? -58.65 -51.21 70.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.963 HD11 ' CD1' ' A' ' 21' ' ' LEU . 5.2 mt -57.16 -51.06 74.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.466 ' HD2' ' CD2' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -56.98 -40.32 76.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -60.73 -41.45 95.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.311 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.734 ' CE2' HG21 ' A' ' 45' ' ' VAL . 23.5 t80 -53.71 -47.84 70.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.546 ' O ' ' N ' ' A' ' 33' ' ' LYS . 8.1 mt -51.67 -47.16 63.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -65.19 -19.09 65.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -88.38 -48.69 7.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.587 ' HG3' ' CZ ' ' A' ' 28' ' ' PHE . 3.5 mmmt -81.39 -15.31 55.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' A' ' 29' ' ' LEU . 23.0 mmtt 49.34 65.12 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.53 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -112.54 174.72 5.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.953 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -123.26 -2.6 8.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.456 ' HB2' HD11 ' A' ' 103' ' ' LEU . 0.2 OUTLIER -166.26 155.53 11.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.036 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.865 ' CE1' HD11 ' A' ' 42' ' ' LEU . 34.6 p90 -175.73 169.61 2.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.964 ' CE2' HD23 ' A' ' 103' ' ' LEU . 39.8 m-85 -117.38 160.24 21.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -60.66 -30.32 69.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.344 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.414 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 11.1 pt20 -74.61 -41.48 60.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.414 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 9.2 mm-40 -58.9 -14.9 10.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.257 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.897 HD13 HG23 ' A' ' 25' ' ' ILE . 9.2 mt -99.35 -23.57 15.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.46 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 23.7 mt-10 -63.31 -15.95 58.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.7 p -100.79 -2.41 32.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.734 HG21 ' CE2' ' A' ' 28' ' ' PHE . 92.2 t -87.69 91.46 3.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.08 -52.0 12.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.6 m -43.82 -27.56 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.989 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.439 ' HG ' ' CG1' ' A' ' 45' ' ' VAL . 24.5 mt -94.4 -59.76 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.633 ' O ' ' N ' ' A' ' 53' ' ' SER . 13.1 mm-40 -44.42 -48.38 9.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.06 -22.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.978 HD12 ' HG3' ' A' ' 24' ' ' LYS . 0.8 OUTLIER -98.58 -66.32 0.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.744 ' HB2' ' CD1' ' A' ' 21' ' ' LEU . . . -54.28 -38.38 65.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.633 ' N ' ' O ' ' A' ' 49' ' ' GLN . 8.5 t -61.38 -24.07 66.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.029 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.563 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 44.2 mtt180 -45.97 153.69 0.64 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.654 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.97 171.23 18.72 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.52 1.8 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.91 HG11 HD12 ' A' ' 17' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.6 t -48.45 -66.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 109.321 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -47.42 -49.76 24.34 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.43 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 1.9 mp0 -47.01 -27.52 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.343 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.533 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 44.4 mtt85 -87.27 -43.82 11.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.584 HG11 HD22 ' A' ' 17' ' ' LEU . 12.4 t -66.46 -32.29 57.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.441 ' CE2' ' HA ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -74.12 -46.64 41.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 110.949 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.467 ' CD ' ' HA ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -66.95 -38.85 86.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.824 ' ND2' HD11 ' A' ' 14' ' ' LEU . 90.1 m-20 -71.66 -47.23 55.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.637 ' HA ' HG23 ' A' ' 18' ' ' THR . . . -52.17 -42.67 63.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.435 ' CD2' HG21 ' A' ' 25' ' ' ILE . 34.7 mt -61.01 -35.51 77.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.78 -55.14 38.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -46.18 -38.9 8.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.072 HD21 ' O ' ' A' ' 22' ' ' SER . 61.9 mt -66.89 -43.16 84.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.472 ' HG2' HG23 ' A' ' 93' ' ' VAL . 10.3 mt-30 -66.78 -15.58 63.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -92.33 -26.49 18.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.493 ' HB2' HD12 ' A' ' 92' ' ' LEU . 1.2 mttm -87.06 -29.75 21.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 107.39 10.58 27.16 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.721 HD13 HD22 ' A' ' 87' ' ' LEU . 2.4 mt -70.89 -45.5 64.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.472 HG23 ' HG2' ' A' ' 88' ' ' GLN . 2.8 m -128.23 172.96 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.59 ' CE2' ' CB ' ' A' ' 105' ' ' TYR . 8.2 p90 -162.18 143.67 10.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -111.1 118.17 35.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.2 mmp_? -87.16 51.4 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 166.57 100.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 m -55.39 102.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.969 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -179.07 134.09 2.23 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.6 m -81.23 52.89 1.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 110.049 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -177.28 37.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -117.53 179.33 4.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.975 HD12 ' CE1' ' A' ' 105' ' ' TYR . 1.7 tm? -86.03 132.62 34.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.84 ' N ' HD13 ' A' ' 103' ' ' LEU . 64.4 m-85 -93.53 117.72 30.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.975 ' CE1' HD12 ' A' ' 103' ' ' LEU . 23.0 m-30 -92.29 135.56 33.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.511 ' HB ' HD13 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -100.56 149.07 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.389 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 12' ' ' LEU . 9.6 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -167.69 152.24 6.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.858 HD21 HG22 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -38.38 -31.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.446 ' N ' ' C ' ' A' ' 13' ' ' ASP . . . -82.92 -49.54 9.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -60.5 -54.21 39.07 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.011 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -58.74 -35.32 72.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.769 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.2 m -64.85 -54.52 29.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.407 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 18' ' ' THR . 10.5 t -38.17 -35.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.989 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.697 ' HG ' HD11 ' A' ' 51' ' ' LEU . 2.2 tp -74.7 -58.77 3.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.886 ' HA ' HD13 ' A' ' 51' ' ' LEU . 46.2 tp -40.31 -49.71 2.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.167 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.611 ' OG ' HD13 ' A' ' 86' ' ' LEU . 0.9 OUTLIER -43.12 -55.19 4.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.45 -33.39 72.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.878 ' HG3' HD12 ' A' ' 51' ' ' LEU . 4.2 mmtt -63.88 -38.61 91.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.613 HG21 HD21 ' A' ' 84' ' ' LEU . 3.6 mt -73.41 -45.89 50.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.492 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -58.47 -37.98 76.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.492 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 3.4 mm-40 -68.48 -42.92 77.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.592 ' CZ ' ' HG3' ' A' ' 32' ' ' LYS . 73.6 t80 -50.11 -50.65 47.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 111.045 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.687 HD21 ' CE1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -47.04 -45.54 21.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -67.14 -26.0 66.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.33 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 28' ' ' PHE . 2.9 tp10 -77.27 -44.32 30.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.592 ' HG3' ' CZ ' ' A' ' 28' ' ' PHE . 3.1 mmmt -83.17 -20.9 33.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.9 OUTLIER 61.14 62.59 1.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.568 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -120.51 174.79 6.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -125.35 1.95 7.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.3 p -166.84 151.11 7.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.004 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.687 ' CE1' HD21 ' A' ' 29' ' ' LEU . 37.0 p90 -177.04 162.13 1.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 1.088 ' CE1' HD12 ' A' ' 103' ' ' LEU . 63.5 m-85 -112.61 152.95 28.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -53.38 -39.29 64.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -60.83 -35.64 77.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -67.35 -14.98 63.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.673 HD11 ' CE2' ' A' ' 37' ' ' PHE . 12.3 mt -105.77 -20.8 13.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.432 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 27.4 mt-10 -61.78 -13.2 21.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.7 p -101.41 -3.18 29.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.417 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.515 HG23 ' HA ' ' A' ' 42' ' ' LEU . 59.4 t -85.85 109.04 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -56.05 -58.96 5.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.8 m -38.83 -35.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.612 HD12 ' HB3' ' A' ' 42' ' ' LEU . 17.5 mt -83.04 -59.56 2.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.567 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.2 mm-40 -46.36 -48.1 18.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.47 -23.81 2.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.886 HD13 ' HA ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -98.06 -55.42 2.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.836 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -63.74 -7.58 8.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.567 ' N ' ' O ' ' A' ' 49' ' ' GLN . 21.9 t -108.22 -19.79 13.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -41.95 158.34 0.2 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.652 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -75.09 169.4 22.65 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.536 1.808 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 1.004 HG11 HD23 ' A' ' 17' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 78' ' ' ARG . 60.7 t -46.62 -50.25 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.775 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 52' ' ' ALA . . . -48.08 -44.35 31.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 7.2 mt-30 -61.88 -19.98 63.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.497 ' HG2' HD11 ' A' ' 14' ' ' LEU . 6.4 ttt180 -92.65 -16.28 25.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.858 HG22 HD21 ' A' ' 14' ' ' LEU . 25.3 t -94.75 -31.2 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -68.59 -45.57 71.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 82' ' ' ASN . 0.1 OUTLIER -64.96 -37.59 88.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.714 ' HB3' HG21 ' A' ' 18' ' ' THR . 40.2 m-20 -71.0 -37.55 72.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.54 -54.45 32.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.893 HD13 ' CD2' ' A' ' 104' ' ' TYR . 38.6 mt -55.4 -45.89 76.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.59 -59.18 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.631 HD12 ' O ' ' A' ' 82' ' ' ASN . 1.2 mp -48.66 -52.1 25.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.709 HD12 HD23 ' A' ' 84' ' ' LEU . 40.0 mt -44.54 -43.04 7.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -64.19 -31.62 72.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.262 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 86' ' ' LEU . 0.8 OUTLIER -76.49 -45.71 29.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.468 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 0.4 OUTLIER -67.53 -27.35 66.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.1 23.44 13.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.603 HD13 HD22 ' A' ' 87' ' ' LEU . 3.8 mt -83.63 -28.39 28.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.746 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.493 HG13 ' HB3' ' A' ' 87' ' ' LEU . 1.7 m -144.61 175.31 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 105' ' ' TYR . 17.5 p90 -161.78 147.69 13.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.639 ' NE2' ' CD1' ' A' ' 104' ' ' TYR . 0.9 OUTLIER -94.76 152.55 18.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -126.65 45.3 2.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.526 ' HB2' ' CE ' ' A' ' 102' ' ' LYS . 7.2 t0 -156.77 -68.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.0 t -179.42 32.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.455 ' HA2' ' OE1' ' A' ' 95' ' ' GLN . . . 52.77 -169.06 0.78 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 99' ' ' GLY . 0.3 OUTLIER 57.1 110.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.767 . . . . 0.0 110.022 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.3 t0 46.38 64.67 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.256 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.526 ' CE ' ' HB2' ' A' ' 97' ' ' ASP . 13.9 mmmt -124.68 -178.28 4.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 1.088 HD12 ' CE1' ' A' ' 38' ' ' TYR . 5.7 tt -62.47 -74.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.947 ' HB2' ' O ' ' A' ' 103' ' ' LEU . 29.5 m-85 103.2 73.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.753 ' CD1' HD22 ' A' ' 103' ' ' LEU . 92.7 m-85 -73.7 116.66 14.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.454 HG12 ' H ' ' A' ' 106' ' ' VAL . 1.4 p -64.97 151.7 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 92' ' ' LEU . 2.9 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.427 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.649 HD12 ' H ' ' A' ' 13' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.649 ' H ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER 179.76 140.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 1.08 HD21 HG22 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -37.88 -46.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.353 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.65 -45.95 70.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.599 ' HA3' ' CD1' ' A' ' 12' ' ' LEU . . . -60.27 -51.99 55.46 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.15 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.002 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -68.08 -28.06 67.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 0.787 . . . . 0.0 109.326 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.524 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 1.1 m -63.27 -56.19 18.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 110.423 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 18' ' ' THR . 21.0 t -38.3 -50.27 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.025 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.706 ' HG ' HD11 ' A' ' 51' ' ' LEU . 1.6 tp -57.17 -58.14 9.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.841 ' CD2' ' HB2' ' A' ' 52' ' ' ALA . 22.1 tp -43.44 -46.63 6.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.566 ' O ' HD21 ' A' ' 87' ' ' LEU . 3.3 p -43.98 -49.73 8.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.015 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 1.7 mm-40 -65.36 -32.39 74.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.786 ' HG3' HD12 ' A' ' 51' ' ' LEU . 3.7 mmtt -64.49 -43.36 94.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.746 HG21 HD21 ' A' ' 84' ' ' LEU . 4.8 mt -71.06 -45.69 70.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.477 ' HD2' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -59.5 -38.57 81.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 1.2 mm-40 -66.05 -41.34 90.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.716 ' CE1' HG21 ' A' ' 45' ' ' VAL . 81.6 t80 -55.45 -34.6 64.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.754 HD21 ' CZ ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -62.41 -51.05 69.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -65.8 -17.89 64.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -80.32 -49.61 11.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.604 ' HB2' ' SD ' ' A' ' 34' ' ' MET . 61.0 mmtt -83.55 -23.63 31.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' LEU . 4.5 mttt 60.12 66.49 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.626 ' SD ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -112.3 176.2 5.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -122.52 -6.6 8.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.317 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.421 ' HB2' HD11 ' A' ' 103' ' ' LEU . 6.2 p -168.56 146.51 4.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.754 ' CZ ' HD21 ' A' ' 29' ' ' LEU . 53.5 p90 -171.26 -177.18 2.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 1.028 ' CZ ' HD23 ' A' ' 103' ' ' LEU . 98.4 m-85 -125.41 150.13 47.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.415 1.072 . . . . 0.0 111.048 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.704 ' HA ' HD23 ' A' ' 42' ' ' LEU . 41.3 tt0 -53.94 -19.02 3.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.461 ' O ' HG23 ' A' ' 44' ' ' THR . 5.4 pt20 -79.09 -14.73 58.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.401 ' C ' HD22 ' A' ' 42' ' ' LEU . 18.0 mm-40 -82.92 -12.22 57.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 110.251 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.858 HD22 ' N ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -106.56 -21.98 12.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.432 ' O ' ' CD ' ' A' ' 49' ' ' GLN . 1.7 mm-40 -66.88 -21.25 66.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 40' ' ' GLN . 44.5 p -85.42 -18.27 34.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.423 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.864 ' HB ' HD12 ' A' ' 48' ' ' LEU . 23.7 t -74.9 116.12 17.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 48' ' ' LEU . 1.0 OUTLIER -57.81 -64.56 0.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 46' ' ' GLU . 5.5 m -38.78 -29.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.864 HD12 ' HB ' ' A' ' 45' ' ' VAL . 92.9 mt -81.52 -60.09 2.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.552 ' O ' ' N ' ' A' ' 53' ' ' SER . 1.9 mt-30 -47.13 -45.57 22.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.05 -20.96 2.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.796 HD13 ' HA ' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -98.45 -54.65 2.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.841 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -67.02 -4.81 10.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.552 ' N ' ' O ' ' A' ' 49' ' ' GLN . 22.9 t -108.16 -14.65 14.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 2.7 mtt180 -47.03 155.75 0.61 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.662 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.99 168.69 24.28 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.925 HG11 HD23 ' A' ' 17' ' ' LEU . 1.3 p . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.514 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.457 ' HA ' ' CD ' ' A' ' 78' ' ' ARG . 61.4 t -44.67 -40.52 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.535 0.785 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.48 -42.41 98.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.514 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 8.2 mt-30 -53.22 -21.85 5.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.457 ' CD ' ' HA ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -86.25 -32.48 21.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.325 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 1.08 HG22 HD21 ' A' ' 14' ' ' LEU . 4.8 t -77.46 -37.77 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.501 ' CE2' ' HB3' ' A' ' 52' ' ' ALA . 5.5 m-85 -69.33 -48.39 61.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.42 -37.42 85.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.67 ' O ' HD12 ' A' ' 86' ' ' LEU . 98.1 m-20 -77.14 -26.34 53.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.492 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -71.03 -54.49 11.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.889 HD23 HD12 ' A' ' 87' ' ' LEU . 21.7 mt -55.98 -46.38 78.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.53 -57.49 1.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.67 HD12 ' O ' ' A' ' 82' ' ' ASN . 1.0 OUTLIER -52.8 -47.96 67.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.889 HD12 HD23 ' A' ' 84' ' ' LEU . 56.3 mt -48.63 -42.87 35.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.79 ' OE1' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -66.07 -26.23 67.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 86' ' ' LEU . 1.9 mm-40 -79.58 -26.21 41.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.245 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.4 -28.68 20.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 101.38 24.02 9.16 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.502 1.126 . . . . 0.0 111.052 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.488 HD13 HD22 ' A' ' 87' ' ' LEU . 4.9 mt -83.91 -41.76 17.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.79 HG23 ' OE1' ' A' ' 88' ' ' GLN . 1.0 OUTLIER -137.35 172.97 13.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.654 ' CE1' ' CB ' ' A' ' 105' ' ' TYR . 26.7 p90 -163.88 152.65 13.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.407 ' OE1' ' CE1' ' A' ' 104' ' ' TYR . 9.2 mt-30 -105.97 119.65 39.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.556 ' HG3' ' CE1' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -74.78 -51.82 13.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -89.79 127.5 35.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.66 148.16 20.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.988 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.454 ' CA ' ' HG3' ' A' ' 102' ' ' LYS . . . 126.43 151.96 7.97 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.3 t -68.09 -65.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 0.735 . . . . 0.0 109.993 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -76.58 61.71 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.454 ' HG3' ' CA ' ' A' ' 99' ' ' GLY . 17.9 mmtt -113.77 -179.23 3.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 1.028 HD23 ' CZ ' ' A' ' 38' ' ' TYR . 1.3 tm? -74.02 134.94 43.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.897 ' N ' HD13 ' A' ' 103' ' ' LEU . 63.9 m-85 -109.54 92.11 3.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 1.014 ' CD1' HD12 ' A' ' 103' ' ' LEU . 38.5 m-85 -71.08 142.05 50.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 111.008 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -101.55 155.81 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 11.8 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 12' ' ' LEU . 7.7 mt . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.439 ' C ' HG21 ' A' ' 56' ' ' VAL . 17.5 t70 -171.09 159.39 5.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 1.022 HD12 ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -40.05 -43.38 1.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.2 -49.55 23.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.6 -58.54 11.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.135 . . . . 0.0 111.025 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.021 HD23 HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -60.26 -33.74 72.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 0.77 . . . . 0.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.991 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.2 m -63.73 -51.13 66.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.372 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 18' ' ' THR . 30.9 t -36.96 -37.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.026 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.737 ' HG ' HD11 ' A' ' 51' ' ' LEU . 3.1 tp -73.9 -55.47 6.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.858 HD23 HG12 ' A' ' 79' ' ' VAL . 7.2 tp -40.32 -49.02 2.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.701 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 1.3 p -37.72 -61.89 0.59 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.015 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.497 ' HB3' ' HZ3' ' A' ' 26' ' ' LYS . 4.7 mt-10 -55.89 -42.4 75.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 110.34 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.772 ' HG3' HD12 ' A' ' 51' ' ' LEU . 36.7 mmtt -53.39 -41.49 65.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.602 HG23 ' CD1' ' A' ' 42' ' ' LEU . 3.4 mt -73.05 -57.02 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.497 ' HZ3' ' HB3' ' A' ' 23' ' ' GLU . 0.6 OUTLIER -50.83 -36.14 35.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 23' ' ' GLU . 3.2 mm-40 -70.31 -39.89 74.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.435 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 53.4 t80 -57.42 -25.92 60.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.862 HD13 HG13 ' A' ' 106' ' ' VAL . 8.5 mt -75.34 -47.81 25.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -64.74 -11.19 33.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -94.22 -48.39 6.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.354 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.438 ' HB2' ' CG ' ' A' ' 34' ' ' MET . 62.3 mmtt -81.95 -13.36 57.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' LEU . 14.0 mmtt 52.5 62.67 2.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.438 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -114.71 171.67 7.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 110.988 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -131.45 9.87 4.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.7 p -167.4 143.2 4.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.985 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.708 ' CE1' HD11 ' A' ' 42' ' ' LEU . 14.1 p90 -177.63 161.79 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 1.045 ' CE2' HD23 ' A' ' 103' ' ' LEU . 58.5 m-85 -111.46 157.71 19.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.505 ' OE1' ' CB ' ' A' ' 81' ' ' LYS . 28.6 tt0 -61.0 -29.22 69.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.612 ' O ' HG23 ' A' ' 44' ' ' THR . 5.5 pt20 -70.76 -31.89 68.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.3 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 45' ' ' VAL . 4.6 mm-40 -68.34 -17.81 64.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.708 HD11 ' CE1' ' A' ' 37' ' ' PHE . 10.4 mt -101.87 -20.82 14.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.48 ' OE2' ' CD2' ' A' ' 80' ' ' PHE . 5.3 mm-40 -67.59 -24.35 65.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 40' ' ' GLN . 7.6 p -96.62 6.93 47.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.432 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.664 HG11 ' CD2' ' A' ' 48' ' ' LEU . 85.8 t -92.48 127.96 44.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 47' ' ' SER . 13.6 mm-40 -62.84 -63.0 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -35.05 -52.88 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.664 ' CD2' HG11 ' A' ' 45' ' ' VAL . 1.6 mm? -64.7 -66.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.58 ' O ' ' N ' ' A' ' 53' ' ' SER . 3.3 mm-40 -39.77 -53.02 2.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 110.35 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.96 -27.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.772 HD12 ' HG3' ' A' ' 24' ' ' LYS . 2.1 tt -98.91 -60.53 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.842 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -54.23 -14.38 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.58 ' N ' ' O ' ' A' ' 49' ' ' GLN . 24.4 p -91.39 -17.6 25.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.04 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.515 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.5 OUTLIER -47.23 152.46 1.07 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.671 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.03 168.46 24.78 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 1.021 HG11 HD23 ' A' ' 17' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 109.279 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.521 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.545 HG13 ' N ' ' A' ' 76' ' ' ALA . 9.1 p -38.52 -55.12 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 109.314 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.545 ' N ' HG13 ' A' ' 75' ' ' VAL . . . -53.8 -45.19 70.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.521 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 7.2 mt-30 -52.45 -26.31 12.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.477 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -82.82 -31.31 28.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.277 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.991 HG13 ' OG1' ' A' ' 18' ' ' THR . 16.0 t -82.42 -36.93 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.612 ' CE1' ' HB3' ' A' ' 48' ' ' LEU . 6.3 m-85 -66.01 -50.2 65.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.505 ' CB ' ' OE1' ' A' ' 39' ' ' GLN . 0.1 OUTLIER -63.68 -42.84 97.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.836 ' HB3' HG21 ' A' ' 18' ' ' THR . 62.4 m-20 -62.21 -46.74 87.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.701 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -52.82 -43.98 66.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.496 ' CD1' ' HB2' ' A' ' 39' ' ' GLN . 25.5 mt -59.67 -38.48 81.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.72 -57.29 12.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 110.268 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.425 HD11 HG22 ' A' ' 18' ' ' THR . 1.0 OUTLIER -55.04 -42.33 72.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.493 HD21 ' C ' ' A' ' 22' ' ' SER . 6.0 mt -51.52 -48.47 62.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.435 ' HG2' HG23 ' A' ' 93' ' ' VAL . 5.2 mt-30 -59.17 -27.12 65.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -82.91 -27.31 30.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.888 ' HB2' HD23 ' A' ' 92' ' ' LEU . 5.3 mttm -87.64 -3.38 58.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.23 13.13 81.34 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.888 HD23 ' HB2' ' A' ' 90' ' ' LYS . 4.3 mm? -67.56 -54.46 19.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 0.79 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.491 HG12 ' HA ' ' A' ' 106' ' ' VAL . 5.3 m -128.72 180.0 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 105' ' ' TYR . 10.7 p90 -162.36 142.94 10.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.147 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.403 ' NE2' ' O ' ' A' ' 99' ' ' GLY . 81.3 mt-30 -101.2 136.7 40.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -96.3 -62.12 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.462 ' CB ' ' HE3' ' A' ' 102' ' ' LYS . 33.4 m-20 -73.73 -18.56 60.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.3 m 61.97 135.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.403 ' O ' ' NE2' ' A' ' 95' ' ' GLN . . . 148.36 152.77 5.78 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.461 1.1 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.4 m -87.92 46.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 110.032 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -178.44 42.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.462 ' HE3' ' CB ' ' A' ' 97' ' ' ASP . 9.3 mmmt -130.13 158.01 40.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 1.045 HD23 ' CE2' ' A' ' 38' ' ' TYR . 1.7 tm? -60.8 133.75 56.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.855 ' N ' HD13 ' A' ' 103' ' ' LEU . 68.7 m-85 -94.6 112.23 23.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.877 ' CD1' HD12 ' A' ' 103' ' ' LEU . 19.8 m-30 -85.91 129.85 34.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.862 HG13 HD13 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -80.89 164.7 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 92' ' ' LEU . 5.0 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.388 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.554 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 12.6 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.567 ' C ' HG21 ' A' ' 56' ' ' VAL . 3.8 m-20 86.33 157.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.665 ' CD2' HG22 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -37.33 -35.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.454 ' O ' ' HB ' ' A' ' 18' ' ' THR . . . -77.84 -53.26 7.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -57.7 -55.96 27.71 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.917 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -56.99 -30.03 63.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.642 HG21 ' HB3' ' A' ' 82' ' ' ASN . 0.9 OUTLIER -66.01 -59.62 3.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.431 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.0 t -43.14 -29.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.99 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.457 HD12 HD11 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -77.94 -53.43 7.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.811 HD23 HG12 ' A' ' 79' ' ' VAL . 11.8 tp -44.08 -45.18 7.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.666 ' HB2' HD13 ' A' ' 87' ' ' LEU . 10.8 p -43.7 -51.86 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 3.1 mt-10 -63.32 -28.46 70.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.898 ' HG3' HD22 ' A' ' 51' ' ' LEU . 23.9 mmtt -71.3 -38.63 71.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.793 HG23 HD13 ' A' ' 42' ' ' LEU . 4.1 mt -76.18 -44.59 36.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.531 ' HB2' HD22 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -56.99 -40.09 75.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.331 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.512 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 3.4 mm-40 -64.41 -40.44 95.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.6 ' CE2' ' HG3' ' A' ' 32' ' ' LYS . 56.3 t80 -59.36 -34.8 72.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.805 HD21 ' CE2' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -61.11 -47.57 85.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -72.72 -15.72 61.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -83.63 -40.5 18.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.6 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 14.6 mmtp -93.54 -23.05 18.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' LEU . 62.1 mmtt 58.45 67.25 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.569 ' SD ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -109.93 175.98 5.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.943 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -126.38 -1.51 6.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.7 p -169.47 142.23 2.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.805 ' CE2' HD21 ' A' ' 29' ' ' LEU . 27.8 p90 -169.78 163.41 9.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.945 ' CE2' HD23 ' A' ' 103' ' ' LEU . 42.5 m-85 -111.13 156.0 22.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.523 ' OE1' ' CB ' ' A' ' 81' ' ' LYS . 12.9 tt0 -54.34 -32.55 57.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.417 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 5.3 pt20 -71.66 -41.59 68.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.417 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 3.1 mm-40 -55.65 -18.41 7.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.793 HD13 HG23 ' A' ' 25' ' ' ILE . 10.4 mt -99.9 -20.94 15.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.431 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 1.0 OUTLIER -68.28 -9.01 44.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 40' ' ' GLN . 13.5 p -94.95 -9.35 34.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.396 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.418 HG11 ' CD1' ' A' ' 28' ' ' PHE . 23.6 t -80.72 100.62 5.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -47.69 -58.96 3.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 110.336 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.8 m -40.5 -42.31 1.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.508 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 85.1 mt -73.25 -56.13 5.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.0 mt-30 -46.19 -42.48 14.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.59 -24.46 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.898 HD22 ' HG3' ' A' ' 24' ' ' LYS . 4.0 tp -99.1 -47.19 5.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.525 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -68.58 -3.01 10.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' GLN . 30.0 t -109.41 -12.56 14.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 0.0 110.033 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -41.03 152.98 0.24 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.355 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.523 ' O ' ' C ' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.02 -29.98 7.62 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.496 1.787 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.907 HG11 HD23 ' A' ' 17' ' ' LEU . 1.2 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.482 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.449 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 58.2 t -43.9 -45.09 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 0.787 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.442 ' HA ' ' O ' ' A' ' 52' ' ' ALA . . . -60.0 -40.94 90.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.352 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.494 ' NE2' ' NE2' ' A' ' 39' ' ' GLN . 5.0 mm-40 -57.83 -23.2 51.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 0.1 OUTLIER -83.58 -31.08 26.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.811 HG12 HD23 ' A' ' 21' ' ' LEU . 21.9 t -80.36 -39.71 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.489 ' HB3' ' CG ' ' A' ' 39' ' ' GLN . 2.1 m-85 -66.96 -59.03 3.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.523 ' CB ' ' OE1' ' A' ' 39' ' ' GLN . 2.4 ptpt -48.79 -37.98 20.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.378 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.642 ' HB3' HG21 ' A' ' 18' ' ' THR . 92.6 m-20 -65.88 -52.19 52.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.63 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -41.05 -64.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.658 HD11 ' HE1' ' A' ' 37' ' ' PHE . 3.8 mm? -38.25 -49.16 1.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.47 -49.13 56.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.484 HD22 ' N ' ' A' ' 86' ' ' LEU . 3.0 mm? -58.18 -55.4 35.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.666 HD13 ' HB2' ' A' ' 22' ' ' SER . 0.2 OUTLIER -44.22 -56.79 3.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.153 . . . . 0.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.492 ' HG2' ' CG2' ' A' ' 93' ' ' VAL . 0.2 OUTLIER -54.87 -30.17 57.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 110.277 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 86' ' ' LEU . 65.4 mm-40 -77.7 -25.54 49.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.22 -29.04 16.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 107' ' ' THR . . . 103.79 22.04 9.22 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.593 HD13 HD12 ' A' ' 87' ' ' LEU . 3.7 mt -83.33 -37.59 23.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.492 ' CG2' ' HG2' ' A' ' 88' ' ' GLN . 3.8 m -139.76 175.28 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 105' ' ' TYR . 25.9 p90 -164.45 151.5 11.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.971 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.614 ' CD ' ' CE1' ' A' ' 104' ' ' TYR . 58.8 mt-30 -114.72 127.13 55.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.571 ' HG3' ' CE2' ' A' ' 105' ' ' TYR . 0.5 OUTLIER -91.67 48.63 1.48 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 98' ' ' SER . 0.6 OUTLIER 173.32 89.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 97' ' ' ASP . 1.0 OUTLIER -37.83 106.61 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.973 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -175.47 168.46 40.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.26 -56.97 3.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -86.92 68.84 10.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -128.11 159.69 34.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.945 HD23 ' CE2' ' A' ' 38' ' ' TYR . 1.7 tm? -69.76 131.12 44.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.822 ' N ' HD13 ' A' ' 103' ' ' LEU . 53.0 m-85 -97.93 111.68 23.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.905 ' CE1' HD12 ' A' ' 103' ' ' LEU . 33.1 m-85 -88.18 144.02 26.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.486 HG13 HD23 ' A' ' 29' ' ' LEU . 1.3 t -76.15 162.11 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 92' ' ' LEU . 13.5 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.375 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.499 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 22.5 t70 174.24 154.69 0.12 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.578 HD23 HG22 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -40.59 -29.73 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.45 ' N ' ' C ' ' A' ' 13' ' ' ASP . . . -91.47 -41.03 11.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -64.43 -51.11 55.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.054 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -69.05 -23.8 64.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.681 HG21 ' HB3' ' A' ' 82' ' ' ASN . 0.9 OUTLIER -66.03 -60.87 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 110.362 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 18' ' ' THR . 24.6 t -37.76 -36.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.965 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.917 HD13 HD11 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -68.99 -55.73 9.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.872 ' CD2' ' HB2' ' A' ' 52' ' ' ALA . 16.4 tp -45.36 -50.14 12.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.697 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 4.9 p -41.54 -50.87 4.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.986 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 7.0 mt-10 -62.5 -33.68 75.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.915 ' HG3' HD12 ' A' ' 51' ' ' LEU . 2.2 mmpt? -66.12 -44.42 84.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.826 HG23 HD13 ' A' ' 42' ' ' LEU . 7.3 mt -72.33 -53.88 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.38 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.522 ' HD2' ' CD1' ' A' ' 92' ' ' LEU . 1.5 pttm -47.41 -37.4 11.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 23' ' ' GLU . 2.5 mm-40 -68.81 -43.0 76.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.461 ' CE1' ' HE3' ' A' ' 32' ' ' LYS . 62.1 t80 -56.96 -21.03 27.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 111.04 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.588 HD22 ' CE2' ' A' ' 37' ' ' PHE . 11.6 mt -81.22 -48.24 12.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -65.22 -10.47 31.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -94.54 -50.4 5.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.461 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 16.7 mmtp -82.34 -18.16 43.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.51 ' N ' ' O ' ' A' ' 29' ' ' LEU . 1.2 mttt 50.28 67.44 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.538 ' SD ' ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -102.1 170.96 7.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 0.0 110.98 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -120.56 -7.3 9.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.37 143.14 2.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.98 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.588 ' CE2' HD22 ' A' ' 29' ' ' LEU . 8.5 p90 -169.26 171.96 7.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.882 ' CE2' HD23 ' A' ' 103' ' ' LEU . 37.4 m-85 -115.68 151.29 35.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.482 ' HB2' ' CE2' ' A' ' 104' ' ' TYR . 2.3 tt0 -57.2 -34.65 68.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.278 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.464 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 5.6 pt20 -67.17 -44.04 80.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.464 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 4.9 mm-40 -52.66 -21.73 4.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.826 HD13 HG23 ' A' ' 25' ' ' ILE . 12.4 mt -94.8 -23.0 17.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.533 ' OE2' ' CD2' ' A' ' 80' ' ' PHE . 1.5 mm-40 -65.19 -11.88 45.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.4 p -93.32 -9.57 38.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.399 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.1 t -83.84 119.48 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 47' ' ' SER . 0.1 OUTLIER -60.12 -60.12 4.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 110.293 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' GLU . 64.7 m -38.36 -36.82 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.979 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.48 HD13 HG12 ' A' ' 25' ' ' ILE . 44.3 mt -79.83 -60.65 2.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.558 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.1 mt-30 -45.84 -47.3 15.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.258 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.65 -22.09 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.917 HD11 HD13 ' A' ' 20' ' ' LEU . 1.2 tt -98.73 -57.83 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.308 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.872 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -61.23 -11.51 9.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.558 ' N ' ' O ' ' A' ' 49' ' ' GLN . 55.6 m -95.62 -21.43 18.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.521 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 3.4 mtt180 -44.56 154.79 0.4 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.673 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.02 170.33 20.66 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.944 HG11 HD23 ' A' ' 17' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.508 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.548 HG13 ' N ' ' A' ' 76' ' ' ALA . 11.7 p -43.37 -53.65 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.548 ' N ' HG13 ' A' ' 75' ' ' VAL . . . -58.37 -36.64 73.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.508 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 8.8 mt-30 -60.84 -19.22 59.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.503 ' HB3' HD11 ' A' ' 14' ' ' LEU . 3.5 mpt_? -88.91 -34.27 17.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.733 HG12 HD23 ' A' ' 21' ' ' LEU . 22.1 t -76.8 -37.61 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.533 ' CD2' ' OE2' ' A' ' 43' ' ' GLU . 1.7 m-85 -66.06 -60.61 2.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.96 -37.47 44.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.681 ' HB3' HG21 ' A' ' 18' ' ' THR . 90.0 m-20 -65.26 -51.73 58.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.697 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -41.33 -64.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.588 ' HB3' ' CE1' ' A' ' 104' ' ' TYR . 3.9 mm? -38.15 -50.4 1.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.455 ' HA ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -48.28 -52.3 21.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.491 HD22 ' N ' ' A' ' 86' ' ' LEU . 3.0 mm? -55.93 -57.47 11.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.614 HD13 ' HB2' ' A' ' 22' ' ' SER . 0.2 OUTLIER -43.21 -58.81 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.53 ' HG2' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -51.02 -40.98 59.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 86' ' ' LEU . 2.1 mt-10 -63.16 -25.3 68.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.471 ' HB2' HD12 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -92.48 -30.23 15.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.411 ' O ' ' CB ' ' A' ' 107' ' ' THR . . . 105.23 21.33 8.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.522 ' CD1' ' HD2' ' A' ' 26' ' ' LYS . 2.4 mt -80.51 -41.85 23.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.53 HG23 ' HG2' ' A' ' 88' ' ' GLN . 5.6 m -136.41 172.98 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.57 ' CD1' ' HB2' ' A' ' 105' ' ' TYR . 32.7 p90 -163.61 150.52 12.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.576 ' CD ' ' CE1' ' A' ' 104' ' ' TYR . 69.2 mt-30 -120.85 121.23 37.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -75.61 -50.02 16.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.24 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -84.28 107.68 16.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.87 114.02 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 170.81 130.08 1.18 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.2 t -52.88 -48.48 67.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 0.737 . . . . 0.0 110.035 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -88.35 61.08 6.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -123.96 166.9 14.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.978 HD12 ' CE1' ' A' ' 105' ' ' TYR . 1.6 tm? -78.22 131.63 37.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.85 ' N ' HD13 ' A' ' 103' ' ' LEU . 59.7 m-85 -94.52 120.42 34.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.978 ' CE1' HD12 ' A' ' 103' ' ' LEU . 19.8 m-85 -93.51 139.19 31.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.586 HG13 HD13 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -83.24 164.18 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 92' ' ' LEU . 2.7 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 110.417 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.527 ' HA ' HD12 ' A' ' 12' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.593 ' HA ' HG12 ' A' ' 56' ' ' VAL . 4.9 m-20 -178.14 161.68 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 1.014 HD12 ' O ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -41.78 -34.58 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.61 -33.42 13.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -65.5 -46.34 85.65 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.701 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -72.68 -42.95 63.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 0.751 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.921 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.3 m -50.02 -51.22 43.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 t -39.99 -38.5 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.941 ' HG ' HD11 ' A' ' 51' ' ' LEU . 1.4 tp -70.65 -56.52 6.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.085 ' CD1' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -40.17 -50.44 2.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 21' ' ' LEU . 43.9 p -33.61 -58.53 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.05 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 5.4 mm-40 -59.8 -39.02 83.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.979 ' HG3' HD12 ' A' ' 51' ' ' LEU . 3.8 mmpt? -61.8 -48.78 79.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.085 HD11 ' CD1' ' A' ' 21' ' ' LEU . 5.3 mt -68.86 -40.95 81.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.348 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.514 ' HA ' HD22 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -64.97 -40.42 94.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 23' ' ' GLU . 1.4 mm-40 -61.2 -38.67 87.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 110.329 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.716 ' CE1' HG21 ' A' ' 45' ' ' VAL . 89.0 t80 -57.7 -37.75 74.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.665 HD11 ' CE2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -59.8 -48.62 80.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -70.42 -16.55 62.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.286 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.77 -40.68 22.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.581 ' HB2' ' SD ' ' A' ' 34' ' ' MET . 13.3 mmtp -94.54 -23.5 17.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' A' ' 29' ' ' LEU . 5.8 mttt 59.23 67.55 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.615 ' SD ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -112.38 173.86 6.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 111.038 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -120.97 -5.49 9.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.454 ' CB ' HD11 ' A' ' 103' ' ' LEU . 0.2 OUTLIER -168.82 138.53 2.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.665 ' CE2' HD11 ' A' ' 29' ' ' LEU . 33.1 p90 -162.19 -174.75 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 1.0 ' CE2' HD23 ' A' ' 103' ' ' LEU . 97.5 m-85 -127.79 149.45 50.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.697 ' HA ' HD23 ' A' ' 42' ' ' LEU . 41.0 tt0 -54.5 -18.82 4.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.488 ' O ' HG23 ' A' ' 44' ' ' THR . 7.2 pt20 -80.57 -13.72 58.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.31 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -82.41 -12.28 58.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.848 HD22 ' N ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -105.02 -21.73 13.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.483 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 1.2 mt-10 -68.87 -17.97 64.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 40' ' ' GLN . 44.9 p -88.76 -16.65 31.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 110.409 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.716 HG21 ' CE1' ' A' ' 28' ' ' PHE . 21.7 t -80.63 113.3 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' LEU . 1.5 mt-10 -54.44 -62.99 1.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.1 m -39.09 -31.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.011 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.664 HD12 ' HB ' ' A' ' 45' ' ' VAL . 81.1 mt -82.98 -61.02 1.97 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.0 mm-40 -46.5 -47.05 19.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.96 -20.93 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.979 HD12 ' HG3' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -98.69 -54.72 2.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.775 ' HB2' HD11 ' A' ' 21' ' ' LEU . . . -65.82 -6.09 10.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 49' ' ' GLN . 49.9 m -104.84 -21.64 13.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 2.3 mtt180 -40.11 156.5 0.17 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.478 ' C ' ' CG2' ' A' ' 56' ' ' VAL . 18.3 Cg_endo -75.01 165.55 31.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.791 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.735 HG11 ' N ' ' A' ' 14' ' ' LEU . 1.5 t . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.569 HG13 ' N ' ' A' ' 76' ' ' ALA . 14.7 p -56.61 -55.68 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.569 ' N ' HG13 ' A' ' 75' ' ' VAL . . . -60.53 -34.85 74.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -57.9 -19.73 31.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.525 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 67.1 mtt180 -89.78 -35.96 15.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.921 HG13 ' OG1' ' A' ' 18' ' ' THR . 7.1 t -72.88 -41.01 60.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.548 ' CE2' ' HB3' ' A' ' 52' ' ' ALA . 2.2 m-85 -65.89 -37.26 85.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 111.034 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.51 ' CB ' ' OE1' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -78.57 -39.57 37.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.619 HD22 HD11 ' A' ' 14' ' ' LEU . 92.7 m-20 -74.27 -27.25 60.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.527 ' HB3' ' CD1' ' A' ' 25' ' ' ILE . . . -71.17 -33.84 70.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.755 HD23 HD12 ' A' ' 87' ' ' LEU . 16.5 mt -72.32 -43.38 64.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.428 ' O ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -43.02 -52.7 5.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.336 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.612 HD12 ' O ' ' A' ' 82' ' ' ASN . 1.2 mp -55.27 -46.48 76.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.755 HD12 HD23 ' A' ' 84' ' ' LEU . 86.8 mt -49.76 -40.04 39.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.935 ' OE1' HG23 ' A' ' 93' ' ' VAL . 0.1 OUTLIER -66.86 -28.73 68.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.263 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -75.39 -28.7 59.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.664 ' HB2' HD12 ' A' ' 92' ' ' LEU . 3.8 mttt -85.05 -30.64 23.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.82 18.25 12.94 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.669 HD13 HD22 ' A' ' 87' ' ' LEU . 1.4 mt -76.91 -45.88 26.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 0.739 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.935 HG23 ' OE1' ' A' ' 88' ' ' GLN . 1.3 m -133.08 176.19 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.59 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 11.5 p90 -162.94 153.15 16.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.528 ' NE2' ' CE2' ' A' ' 104' ' ' TYR . 15.6 mm-40 -117.25 140.79 49.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -103.53 -67.49 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.243 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.461 ' O ' ' O ' ' A' ' 98' ' ' SER . 0.3 OUTLIER -85.93 76.21 9.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.461 ' O ' ' O ' ' A' ' 97' ' ' ASP . 30.7 m 35.6 92.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.489 ' HA3' ' CG ' ' A' ' 95' ' ' GLN . . . -61.45 -134.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.556 ' O ' ' CB ' ' A' ' 101' ' ' ASP . 20.9 t 70.16 23.46 5.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 109.982 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 100' ' ' SER . 1.0 OUTLIER 152.33 -23.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.471 ' HB3' ' HA2' ' A' ' 99' ' ' GLY . 4.9 tppt? -78.52 152.34 32.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 1.0 HD23 ' CE2' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -37.11 122.91 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.759 ' N ' HD13 ' A' ' 103' ' ' LEU . 51.2 m-85 -94.93 112.14 23.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.805 ' CD1' HD12 ' A' ' 103' ' ' LEU . 20.6 m-30 -78.24 128.42 33.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -105.52 153.52 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.408 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 12' ' ' LEU . 11.7 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.7 ' HA ' HG12 ' A' ' 56' ' ' VAL . 17.6 t70 -156.16 156.49 34.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.832 ' N ' HG11 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -42.71 -36.3 1.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.38 -46.78 19.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.06 -54.48 37.08 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.86 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -58.52 -42.17 87.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.707 HG21 ' HB3' ' A' ' 82' ' ' ASN . 1.2 m -56.31 -58.93 5.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.391 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 18' ' ' THR . 7.4 t -36.89 -38.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.029 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 21' ' ' LEU . 1.9 tp -70.13 -57.98 4.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.829 HD13 HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -37.71 -55.04 1.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.693 ' HB2' HD13 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -37.6 -54.85 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.006 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.503 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . 6.0 mt-10 -62.37 -35.36 78.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.346 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.535 ' N ' ' O ' ' A' ' 21' ' ' LEU . 23.6 mmtt -66.77 -53.17 35.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.897 HG23 ' CD1' ' A' ' 42' ' ' LEU . 13.1 mt -59.64 -47.79 89.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.503 ' CE ' ' HA ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -55.84 -39.88 72.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.502 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 3.3 mm-40 -60.49 -40.61 91.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.739 ' CE1' HG21 ' A' ' 45' ' ' VAL . 58.6 t80 -58.53 -38.81 78.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.802 HD11 ' CE2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -56.87 -49.27 76.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -73.09 -15.46 61.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.32 -38.23 22.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.594 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 12.7 mmtp -96.02 -23.68 16.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' LEU . 3.9 mptt 59.07 67.0 0.96 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.591 ' SD ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -109.56 176.23 5.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -122.27 -6.6 8.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.294 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.552 ' HB2' HD11 ' A' ' 103' ' ' LEU . 2.4 p -168.51 148.37 4.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.983 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.802 ' CE2' HD11 ' A' ' 29' ' ' LEU . 31.1 p90 -174.31 171.69 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 1.079 ' CE2' HD23 ' A' ' 103' ' ' LEU . 51.9 m-85 -116.32 148.31 40.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.521 ' CG ' ' HB3' ' A' ' 80' ' ' PHE . 2.9 tt0 -50.13 -35.48 26.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -68.98 -40.36 78.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.42 ' CG ' ' HB2' ' A' ' 38' ' ' TYR . 4.5 mm-40 -56.04 -18.15 8.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.25 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.897 ' CD1' HG23 ' A' ' 25' ' ' ILE . 13.6 mt -100.29 -21.52 15.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.487 ' HA ' ' CZ ' ' A' ' 80' ' ' PHE . 0.9 OUTLIER -64.03 -12.2 36.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.3 p -94.28 -6.78 43.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.365 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.739 HG21 ' CE1' ' A' ' 28' ' ' PHE . 54.8 t -85.12 104.82 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.22 -52.97 57.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.7 m -46.41 -26.77 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 14.2 mt -93.75 -60.26 1.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.488 ' O ' ' N ' ' A' ' 53' ' ' SER . 1.9 mm-40 -42.37 -44.55 3.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.03 -25.7 0.23 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.51 ' CD2' ' HA ' ' A' ' 21' ' ' LEU . 2.6 tp -97.95 -47.23 5.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.519 ' CB ' ' CE2' ' A' ' 80' ' ' PHE . . . -65.35 -6.71 10.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 49' ' ' GLN . 26.5 t -113.59 -12.71 12.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -51.7 158.46 1.57 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.454 ' C ' ' CG2' ' A' ' 56' ' ' VAL . 18.4 Cg_endo -75.0 169.35 22.82 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.832 HG11 ' N ' ' A' ' 14' ' ' LEU . 1.8 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 77' ' ' GLN . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.441 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 48.3 t -43.45 -44.24 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.533 0.784 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.425 ' HA ' ' O ' ' A' ' 52' ' ' ALA . . . -62.51 -40.9 98.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 74' ' ' GLY . 7.5 mt-30 -56.04 -18.04 8.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.471 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -90.39 -33.8 15.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.634 HG12 HD12 ' A' ' 21' ' ' LEU . 24.7 t -78.01 -39.83 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.521 ' HB3' ' CG ' ' A' ' 39' ' ' GLN . 1.7 m-85 -68.69 -57.51 5.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.58 -36.76 56.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.707 ' HB3' HG21 ' A' ' 18' ' ' THR . 75.7 m-20 -67.21 -49.57 64.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.663 ' CB ' HD12 ' A' ' 25' ' ' ILE . . . -44.49 -63.16 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.479 ' HG ' ' CE2' ' A' ' 104' ' ' TYR . 3.8 mm? -42.09 -51.65 4.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.435 ' HA ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -45.27 -56.26 5.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.354 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.573 HD11 HG22 ' A' ' 18' ' ' THR . 1.1 mt -54.75 -54.52 40.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.093 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.693 HD13 ' HB2' ' A' ' 22' ' ' SER . 0.0 OUTLIER -42.48 -57.89 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.496 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 0.3 OUTLIER -53.6 -33.11 53.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.325 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 86' ' ' LEU . 2.9 mm-40 -72.78 -30.06 63.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.54 -28.1 22.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 107' ' ' THR . . . 103.14 21.44 10.06 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.526 ' HA ' HG21 ' A' ' 107' ' ' THR . 7.4 mt -80.25 -39.26 29.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 88' ' ' GLN . 3.3 m -140.12 176.84 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.239 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.692 ' CE1' ' CB ' ' A' ' 105' ' ' TYR . 27.3 p90 -164.76 147.92 8.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.102 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -90.54 140.96 29.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.496 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 1.0 OUTLIER -114.18 65.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.243 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 3.2 m-20 156.79 -24.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 73.3 132.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.042 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 155.13 133.11 1.67 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.12 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 m -45.13 -53.88 7.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 110.009 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -106.45 74.97 1.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.1 mmtm -126.74 177.35 6.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 1.079 HD23 ' CE2' ' A' ' 38' ' ' TYR . 2.0 tm? -76.48 138.79 40.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.919 ' N ' HD13 ' A' ' 103' ' ' LEU . 28.1 m-85 -109.31 126.98 53.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.991 ' CE1' HD12 ' A' ' 103' ' ' LEU . 6.0 m-85 -100.43 140.47 34.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.445 HG13 HD23 ' A' ' 29' ' ' LEU . 1.3 t -76.59 160.01 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.526 HG21 ' HA ' ' A' ' 92' ' ' LEU . 14.8 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.374 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.51 170.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 110.014 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.4 p -118.84 119.1 33.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.96 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.45 170.04 19.0 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.75 -59.64 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 109.975 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.14 106.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.055 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.09 -174.88 53.82 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -160.06 -58.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 109.344 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -151.01 77.61 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -156.81 109.98 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 56.5 m-20 -86.54 61.86 7.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 12' ' ' LEU . 10.6 mt 51.76 177.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.595 ' HA ' HG12 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -164.03 154.87 15.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.83 ' N ' HG11 ' A' ' 56' ' ' VAL . 0.8 OUTLIER -40.85 -40.71 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.21 -46.33 20.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.09 -52.18 50.91 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.849 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -66.21 -39.15 89.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.302 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.97 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.5 m -57.97 -57.43 12.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.416 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.505 ' HA ' HD13 ' A' ' 86' ' ' LEU . 1.8 t -37.83 -38.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.967 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.7 tp -71.08 -54.68 10.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.817 HD23 HG12 ' A' ' 79' ' ' VAL . 11.5 tp -41.56 -43.68 2.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.502 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 0.5 OUTLIER -46.54 -56.7 5.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.22 -32.23 72.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.934 ' HG3' HD22 ' A' ' 51' ' ' LEU . 24.0 mmtt -62.4 -33.25 74.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 109.277 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.743 HG23 ' CD1' ' A' ' 42' ' ' LEU . 1.8 mp -78.21 -49.46 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.521 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -53.17 -38.59 62.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.521 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 2.0 mm-40 -68.14 -40.75 82.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 110.347 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.755 ' CE1' HG21 ' A' ' 45' ' ' VAL . 67.4 t80 -56.56 -39.55 73.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 111.02 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.615 HD21 ' CE1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -59.63 -48.8 80.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -66.72 -13.98 62.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -89.19 -43.76 10.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.267 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.588 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 56.0 mmtt -84.21 -14.43 50.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt 57.84 63.82 1.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.46 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -126.23 163.58 22.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 111.006 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.847 ' HG2' HG21 ' A' ' 108' ' ' THR . 13.6 mt-30 -119.58 6.51 11.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 p -166.45 148.14 6.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.992 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.77 ' CE2' HD11 ' A' ' 42' ' ' LEU . 36.3 p90 -175.76 -176.67 0.87 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.937 ' CE2' HD23 ' A' ' 103' ' ' LEU . 46.4 m-85 -128.3 146.65 50.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 111.053 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.42 ' CG ' ' HB3' ' A' ' 80' ' ' PHE . 3.3 tt0 -52.89 -41.87 64.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -60.74 -39.67 89.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.153 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -59.32 -23.78 62.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.327 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.77 HD11 ' CE2' ' A' ' 37' ' ' PHE . 9.3 mt -93.2 -21.9 19.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 1.4 mt-10 -62.95 -17.72 62.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.2 p -91.04 -9.73 44.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.453 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.755 HG21 ' CE1' ' A' ' 28' ' ' PHE . 95.0 t -81.25 94.69 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -43.44 -53.34 5.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.7 m -44.62 -32.0 1.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.516 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 29.7 mt -86.06 -58.33 2.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.0 mt-30 -45.2 -43.84 10.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.41 -24.74 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.934 HD22 ' HG3' ' A' ' 24' ' ' LYS . 3.4 tp -99.04 -47.41 5.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.716 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -66.55 -6.08 13.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 49' ' ' GLN . 39.7 t -113.73 -16.65 12.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -44.95 158.91 0.27 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.25 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.479 ' C ' ' CG2' ' A' ' 56' ' ' VAL . 18.5 Cg_endo -74.94 169.82 21.77 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.83 HG11 ' N ' ' A' ' 14' ' ' LEU . 1.8 t -153.43 -142.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.484 ' H ' HG12 ' A' ' 56' ' ' VAL . 48.6 p -108.76 46.09 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 110.4 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -96.39 162.76 13.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.598 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 65.1 p -175.23 57.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.031 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.6 p -137.44 -177.41 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.434 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -97.45 65.65 0.88 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.5 m 54.75 -179.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 0.775 . . . . 0.0 110.033 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -99.82 -54.22 2.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 56.46 54.71 7.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 67.7 t -137.73 125.89 31.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 44.08 45.66 6.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.244 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 tp -131.41 138.28 49.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.14 73.54 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.16 -165.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.94 -74.39 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.03 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -39.68 147.92 0.18 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.478 1.111 . . . . 0.0 110.964 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -46.08 128.63 9.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 0.739 . . . . 0.0 110.387 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.476 ' O ' ' HB3' ' A' ' 76' ' ' ALA . 2.0 t -175.62 -54.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.979 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.487 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . -42.63 -58.13 3.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 55.0 t -41.42 -46.3 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -59.54 -44.01 93.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.487 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 6.2 mt-30 -52.63 -23.98 7.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.463 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -85.17 -34.38 22.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.97 HG13 ' OG1' ' A' ' 18' ' ' THR . 40.3 t -77.16 -36.32 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.517 ' CE2' ' CB ' ' A' ' 52' ' ' ALA . 2.1 m-85 -70.4 -56.56 6.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 82' ' ' ASN . 0.1 OUTLIER -51.84 -39.53 59.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.481 ' HB3' HG21 ' A' ' 18' ' ' THR . 94.9 m-20 -70.03 -42.61 72.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.502 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -49.0 -53.6 19.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.153 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.522 ' HB3' ' CE1' ' A' ' 104' ' ' TYR . 3.7 mm? -55.08 -50.72 68.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -46.19 -58.15 3.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.683 HD11 HG22 ' A' ' 18' ' ' THR . 1.5 mt -46.89 -50.65 18.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.858 HD22 HD13 ' A' ' 92' ' ' LEU . 91.5 mt -50.32 -43.34 53.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.558 ' HG2' HG23 ' A' ' 93' ' ' VAL . 68.4 mt-30 -66.36 -19.16 65.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -88.92 -24.16 22.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -90.92 -29.04 17.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.02 14.31 23.08 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.858 HD13 HD22 ' A' ' 87' ' ' LEU . 4.1 mt -76.09 -44.22 39.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 0.732 . . . . 0.0 109.358 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.558 HG23 ' HG2' ' A' ' 88' ' ' GLN . 2.3 m -128.56 173.04 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 10.5 p90 -161.97 148.67 13.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.482 ' OE1' ' CB ' ' A' ' 102' ' ' LYS . 3.2 mt-30 -122.84 121.91 37.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.258 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.476 ' HG2' HD22 ' A' ' 113' ' ' LEU . 12.4 mtp-105 -81.19 -46.63 14.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.147 . . . . 0.0 110.322 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -96.72 115.81 28.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.22 156.32 15.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.976 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 132.11 124.7 2.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.8 p -44.04 -51.85 7.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 110.028 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -87.61 75.35 9.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.482 ' CB ' ' OE1' ' A' ' 95' ' ' GLN . 13.1 mmtt -132.46 159.04 40.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.937 HD23 ' CE2' ' A' ' 38' ' ' TYR . 1.3 tm? -72.73 134.0 44.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.871 ' N ' HD13 ' A' ' 103' ' ' LEU . 33.5 m-85 -98.45 108.83 21.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.915 ' CD1' HD12 ' A' ' 103' ' ' LEU . 21.3 m-30 -83.2 117.36 22.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.51 HG22 ' H ' ' A' ' 108' ' ' THR . 1.4 p -87.23 151.87 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 108' ' ' THR . 11.9 t -70.06 -40.5 75.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.41 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.847 HG21 ' HG2' ' A' ' 35' ' ' GLN . 6.5 t 36.02 45.41 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.376 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.51 84.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.6 t70 179.77 164.24 1.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.1 163.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -166.09 165.47 17.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.476 HD22 ' HG2' ' A' ' 96' ' ' ARG . 10.4 tp -57.38 153.45 12.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -85.89 148.08 25.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 116' ' ' GLY . 69.1 p -61.44 -59.18 5.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.969 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 115' ' ' SER . . . -37.64 98.39 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.518 1.137 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -41.38 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.772 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 14.9 t 60.01 114.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.975 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.16 -57.03 2.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.956 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.458 1.099 . . . . 0.0 110.963 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.17 140.78 28.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 0.802 . . . . 0.0 110.035 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -64.7 -59.68 3.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.973 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.26 81.24 0.05 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -77.45 86.53 3.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 0.795 . . . . 0.0 110.011 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -178.28 -60.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.981 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.67 78.84 0.06 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 175.18 123.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -118.85 60.27 0.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.251 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -161.77 114.23 1.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -68.65 178.52 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 12' ' ' LEU . 9.0 mt -123.96 178.58 5.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.636 ' HA ' HG12 ' A' ' 56' ' ' VAL . 9.9 t0 -163.13 158.76 22.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.17 . . . . 0.0 109.255 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.819 ' N ' HG11 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -40.09 -45.23 1.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.73 -54.16 12.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.99 -53.28 27.5 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.441 1.088 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.942 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -63.02 -39.17 93.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 0.78 . . . . 0.0 109.315 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.968 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.6 m -58.54 -54.94 41.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.405 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 18' ' ' THR . 5.3 t -36.9 -39.72 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.026 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 tp -67.3 -55.45 13.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.331 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.682 ' CD2' ' HB2' ' A' ' 52' ' ' ALA . 4.4 tp -41.71 -48.87 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.487 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -42.58 -60.63 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.003 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.7 -36.7 74.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.523 ' HB3' ' CD2' ' A' ' 48' ' ' LEU . 46.3 mmtt -59.4 -33.52 71.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.668 HD12 ' O ' ' A' ' 21' ' ' LEU . 1.5 mp -76.19 -53.8 14.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.523 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -47.74 -37.9 14.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.523 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 3.3 mm-40 -68.68 -42.13 78.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.58 ' CE1' HG21 ' A' ' 45' ' ' VAL . 71.0 t80 -55.55 -40.76 72.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 111.032 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.662 HD21 ' CE2' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -59.1 -46.33 88.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -66.84 -17.0 64.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -87.39 -46.56 9.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.578 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 42.6 mmtt -81.57 -14.87 56.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER 55.94 64.27 1.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.476 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -127.0 153.81 45.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.148 . . . . 0.0 111.024 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -111.27 9.62 21.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.439 ' HB2' HD21 ' A' ' 103' ' ' LEU . 11.8 p -167.18 134.07 2.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.801 ' CE1' HD11 ' A' ' 42' ' ' LEU . 34.7 p90 -163.3 170.71 17.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.967 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 1.094 ' CE2' HD12 ' A' ' 103' ' ' LEU . 25.6 m-85 -117.93 145.67 44.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.946 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.484 ' CG ' ' HB3' ' A' ' 80' ' ' PHE . 2.6 tt0 -52.15 -43.28 63.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -61.54 -37.36 83.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.1 -24.0 67.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.801 HD11 ' CE1' ' A' ' 37' ' ' PHE . 11.4 mt -89.4 -23.22 22.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.523 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 38.0 mt-10 -59.13 -32.26 69.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.259 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.2 p -71.72 -12.52 61.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.407 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.58 HG21 ' CE1' ' A' ' 28' ' ' PHE . 33.4 t -77.35 92.25 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.85 -58.34 2.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.8 m -39.26 -41.68 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.035 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.523 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 75.0 mt -73.83 -54.76 7.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.523 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 2.0 mm-40 -45.29 -43.37 10.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -48.09 -24.96 1.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.653 HD23 ' HB2' ' A' ' 21' ' ' LEU . 2.8 tp -98.37 -46.45 5.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.682 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -66.66 -5.75 12.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 49' ' ' GLN . 42.5 t -114.67 -15.52 11.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.963 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -47.32 158.34 0.48 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.454 ' C ' ' CG2' ' A' ' 56' ' ' VAL . 18.3 Cg_endo -75.01 167.83 26.17 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.474 1.776 . . . . 0.0 110.963 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.819 HG11 ' N ' ' A' ' 14' ' ' LEU . 1.8 t -151.74 -142.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.495 ' H ' HG12 ' A' ' 56' ' ' VAL . 19.7 p -121.72 58.43 1.01 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.395 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -104.07 158.79 16.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.6 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.1 t -168.23 -51.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 12.7 t -123.01 162.17 22.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 124.93 -169.39 16.89 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.9 m -133.06 168.89 17.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 0.775 . . . . 0.0 109.976 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.524 ' HB2' HG12 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -51.55 117.63 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.71 67.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.263 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.524 HG12 ' HB2' ' A' ' 63' ' ' ASP . 4.5 p -164.22 155.25 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -80.32 62.34 4.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.502 ' O ' ' CG ' ' A' ' 68' ' ' LYS . 0.3 OUTLIER 66.23 137.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.502 ' CG ' ' O ' ' A' ' 67' ' ' LEU . 9.8 mttp 163.72 -66.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -157.5 153.46 27.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 92.7 p -135.45 165.87 24.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.93 -136.79 17.62 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.44 1.088 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.2 p -65.54 169.17 6.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 110.442 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 97.8 p 44.01 67.87 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.982 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.502 ' O ' ' CZ ' ' A' ' 78' ' ' ARG . . . -178.38 -40.49 0.07 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.576 HG13 ' N ' ' A' ' 76' ' ' ALA . 13.7 p -61.77 -55.82 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 0.729 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.576 ' N ' HG13 ' A' ' 75' ' ' VAL . . . -52.21 -30.55 27.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.435 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 10.3 mt-30 -65.93 -18.04 65.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.502 ' CZ ' ' O ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -91.68 -30.83 16.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 110.285 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.968 HG13 ' OG1' ' A' ' 18' ' ' THR . 22.4 t -80.82 -36.03 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.484 ' HB3' ' CG ' ' A' ' 39' ' ' GLN . 1.7 m-85 -70.61 -55.61 8.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -52.65 -39.3 61.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.608 ' HB3' HG21 ' A' ' 18' ' ' THR . 80.8 m-20 -70.27 -42.22 72.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.487 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -49.21 -51.94 29.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.653 HD11 ' CE1' ' A' ' 37' ' ' PHE . 3.8 mm? -56.42 -51.41 68.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.71 -56.45 5.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.665 HD11 HG22 ' A' ' 18' ' ' THR . 1.6 mt -49.2 -50.85 36.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.718 HD22 HD13 ' A' ' 92' ' ' LEU . 86.6 mt -49.71 -44.95 48.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.553 ' HG2' HG23 ' A' ' 93' ' ' VAL . 0.1 OUTLIER -65.28 -21.24 66.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.292 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 86' ' ' LEU . 0.8 OUTLIER -86.07 -24.55 26.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.57 -29.63 16.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.418 ' O ' HG21 ' A' ' 107' ' ' THR . . . 105.39 13.5 24.38 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.496 1.122 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.718 HD13 HD22 ' A' ' 87' ' ' LEU . 6.4 mt -75.0 -38.4 61.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.553 HG23 ' HG2' ' A' ' 88' ' ' GLN . 4.3 m -137.85 175.0 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 105' ' ' TYR . 39.7 p90 -162.64 152.85 16.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -122.3 133.2 54.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.514 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -108.57 84.58 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.266 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 3.6 m-20 155.63 -24.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.9 t 63.66 147.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.009 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 131.22 178.26 15.36 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.8 p -93.64 -36.52 12.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.764 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.68 62.49 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -133.69 158.38 43.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 1.094 HD12 ' CE2' ' A' ' 38' ' ' TYR . 5.5 tt -77.42 153.42 33.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.554 ' CE1' ' HB3' ' A' ' 84' ' ' LEU . 42.8 m-85 -113.04 113.11 24.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.577 ' HB2' ' CE1' ' A' ' 94' ' ' PHE . 43.4 m-85 -88.89 137.89 31.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -83.89 163.98 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.718 HG23 ' N ' ' A' ' 108' ' ' THR . 0.7 OUTLIER -103.93 -165.4 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.398 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.718 ' N ' HG23 ' A' ' 107' ' ' THR . 10.0 t 37.99 -156.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.422 ' N ' ' OG1' ' A' ' 108' ' ' THR . 0.0 OUTLIER -136.83 57.13 1.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.519 ' O ' ' C ' ' A' ' 111' ' ' LYS . 4.4 t0 58.52 91.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.519 ' C ' ' O ' ' A' ' 110' ' ' ASP . 0.0 OUTLIER 31.19 72.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -162.41 175.58 11.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.7 mp -45.74 155.86 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -174.12 -174.44 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.334 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.8 p -101.39 75.71 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.013 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 143.58 140.93 3.73 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 60.75 5.51 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.556 1.819 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.15 117.71 29.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.972 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.1 t -176.51 -59.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.063 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.4 p -154.53 145.13 22.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 109.986 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.34 122.14 6.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.5 71.96 0.05 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.504 1.128 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.27 97.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 0.773 . . . . 0.0 110.05 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.43 171.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.987 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.56 157.39 8.06 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 0.0 111.043 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 m120 60.8 105.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 0.752 . . . . 0.0 109.332 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? 65.87 105.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -159.12 116.71 2.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -61.79 173.54 1.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 12' ' ' LEU . 10.1 mt -122.25 -177.95 3.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.6 OUTLIER -170.24 150.97 3.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.778 ' CD2' HG22 ' A' ' 79' ' ' VAL . 0.3 OUTLIER -36.48 -42.45 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.02 -51.33 22.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.242 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -57.46 -58.38 14.9 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.122 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.042 HD23 HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -56.12 -31.72 63.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 0.767 . . . . 0.0 109.328 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.977 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.3 m -67.56 -56.46 9.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.392 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 18' ' ' THR . 32.1 t -36.8 -33.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.029 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.612 ' HG ' HD11 ' A' ' 51' ' ' LEU . 3.0 tp -76.02 -56.19 4.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.852 ' CD2' ' HB2' ' A' ' 52' ' ' ALA . 27.6 tp -42.16 -48.63 4.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.564 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 1.4 p -39.44 -52.54 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 1.5 mt-10 -62.69 -38.48 90.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.891 ' HG3' HD12 ' A' ' 51' ' ' LEU . 2.7 mmtt -57.67 -41.98 82.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.752 HG21 HD11 ' A' ' 84' ' ' LEU . 6.3 mt -74.0 -43.6 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.491 ' HD2' ' CD2' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -61.54 -37.53 84.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 1.8 mm-40 -69.62 -30.14 67.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.346 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.6 ' CE1' ' CE ' ' A' ' 32' ' ' LYS . 79.1 t80 -68.41 -43.53 77.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 111.048 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.761 HD21 ' CE2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -54.6 -57.36 11.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -65.95 -11.61 48.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.33 -38.35 13.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.6 ' CE ' ' CE1' ' A' ' 28' ' ' PHE . 68.1 mmtt -88.49 -12.45 42.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 mptt 58.06 59.34 3.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.471 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -119.2 170.15 9.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -126.03 4.82 7.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.48 ' HB2' HD11 ' A' ' 103' ' ' LEU . 2.9 p -167.04 153.33 8.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.15 . . . . 0.0 110.009 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.761 ' CE2' HD21 ' A' ' 29' ' ' LEU . 11.2 p90 -178.2 170.73 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 1.018 ' CE2' HD23 ' A' ' 103' ' ' LEU . 59.3 m-85 -116.57 153.01 32.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.952 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.466 ' HG3' HD21 ' A' ' 84' ' ' LEU . 29.5 tt0 -59.15 -23.84 62.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.348 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.483 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 6.0 pt20 -78.01 -45.12 24.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.483 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 9.2 mm-40 -55.4 -20.14 11.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.311 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.743 HD11 ' CE1' ' A' ' 37' ' ' PHE . 12.0 mt -98.36 -20.24 17.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.465 ' HA ' ' CZ ' ' A' ' 80' ' ' PHE . 0.9 OUTLIER -68.62 -9.43 49.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 40' ' ' GLN . 6.3 p -100.91 -3.8 28.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.424 ' CG1' ' HG ' ' A' ' 48' ' ' LEU . 69.1 t -89.03 105.56 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 48' ' ' LEU . 1.9 mt-10 -48.94 -58.32 5.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 46' ' ' GLU . 29.9 m -38.09 -31.7 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.976 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.48 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 41.9 mt -87.29 -60.44 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.554 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.1 mt-30 -46.68 -47.4 20.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 110.302 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.79 -22.26 2.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 110.027 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.891 HD12 ' HG3' ' A' ' 24' ' ' LYS . 0.9 OUTLIER -98.95 -54.62 2.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.852 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -65.34 -6.72 10.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.554 ' N ' ' O ' ' A' ' 49' ' ' GLN . 19.4 m -106.87 -18.01 14.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.013 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.506 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -44.98 158.35 0.29 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 110.256 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.649 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.1 Cg_endo -75.02 168.12 25.53 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.472 1.775 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 1.042 HG11 HD23 ' A' ' 17' ' ' LEU . 0.8 OUTLIER 166.77 150.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.5 t -98.81 138.92 35.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.413 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.535 ' CD2' ' HB2' ' A' ' 14' ' ' LEU . 5.2 p80 -167.96 -174.97 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.165 . . . . 0.0 109.575 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.2 p -158.4 159.48 35.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.969 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 98.8 m 64.99 122.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.405 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -117.56 172.23 14.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.42 171.21 11.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.745 . . . . 0.0 109.968 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 62.16 123.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 66' ' ' GLU . 6.1 mp0 -73.61 57.04 0.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.0 p -50.37 93.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 64' ' ' GLN . 29.5 mt-10 -115.29 53.51 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 67' ' ' LEU . 4.4 mm? -101.66 148.62 25.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -56.63 176.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 59.96 155.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.35 171.4 14.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.962 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.01 -153.05 17.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 82.3 p -84.4 53.83 2.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 0.769 . . . . 0.0 110.383 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.3 t -125.89 65.52 1.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.005 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.497 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . -179.1 -56.74 0.08 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 0.0 111.058 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.558 HG13 ' N ' ' A' ' 76' ' ' ALA . 14.8 p -40.89 -54.69 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.558 ' N ' HG13 ' A' ' 75' ' ' VAL . . . -49.34 -43.04 43.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 4.7 mt-30 -59.12 -22.83 61.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.491 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -87.23 -30.82 20.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.977 HG13 ' OG1' ' A' ' 18' ' ' THR . 21.5 t -79.94 -37.61 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.751 ' O ' HD22 ' A' ' 84' ' ' LEU . 2.1 m-85 -62.0 -57.65 10.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -43.08 73.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.821 ' HB3' HG21 ' A' ' 18' ' ' THR . 88.1 m-20 -63.51 -37.66 88.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.564 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -57.99 -57.47 12.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.752 HD11 HG21 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -54.34 -54.23 43.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.341 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -36.16 -56.52 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.252 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.653 HD12 ' O ' ' A' ' 82' ' ' ASN . 0.9 OUTLIER -56.59 -47.78 78.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.691 HD12 HD12 ' A' ' 84' ' ' LEU . 90.6 mt -50.18 -41.35 49.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.595 ' OE1' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -67.18 -25.97 66.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.67 -23.3 42.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.472 ' HB2' HD12 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -92.19 -29.4 16.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.5 25.06 7.92 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.614 HD13 HD22 ' A' ' 87' ' ' LEU . 2.7 mt -86.51 -35.4 19.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.595 HG23 ' OE1' ' A' ' 88' ' ' GLN . 2.4 m -144.75 176.14 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 5.7 p90 -163.75 157.67 19.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 111.0 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -127.28 118.14 23.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 50.2 mtp85 -72.29 -57.39 4.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.65 -20.18 45.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.73 17.66 3.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.976 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -89.62 149.4 20.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.73 -57.13 13.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 0.738 . . . . 0.0 109.974 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -95.34 74.47 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -134.2 -179.59 5.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.588 1.18 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 1.018 HD23 ' CE2' ' A' ' 38' ' ' TYR . 1.4 tm? -85.55 130.71 34.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.84 ' N ' HD13 ' A' ' 103' ' ' LEU . 24.5 m-85 -96.01 120.53 36.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 111.032 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.971 ' CE1' HD12 ' A' ' 103' ' ' LEU . 20.0 m-85 -93.31 123.27 36.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.51 HG22 ' H ' ' A' ' 108' ' ' THR . 1.4 p -92.16 150.63 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.741 ' O ' HG22 ' A' ' 108' ' ' THR . 11.0 t -62.03 -44.28 97.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.454 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.741 HG22 ' O ' ' A' ' 107' ' ' THR . 14.9 t 50.3 -165.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.389 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.37 -59.24 2.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -168.13 -42.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.0 tttm 73.07 160.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -94.96 110.13 22.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 64.46 120.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -151.46 175.02 12.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.0 m -64.06 -63.26 1.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 110.047 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -108.44 103.82 1.91 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.135 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 103.2 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.547 1.814 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.9 t -79.91 87.89 5.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.971 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 93.2 p -110.49 153.39 25.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.979 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.446 1.091 . . . . 0.0 111.014 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -167.27 -58.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 110.029 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 p -174.49 166.6 3.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.014 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.7 -171.74 44.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.466 1.104 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.466 ' O ' ' CB ' ' A' ' 6' ' ' SER . 22.6 t 60.71 172.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 0.733 . . . . 0.0 110.0 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 5' ' ' SER . 1.0 OUTLIER 161.89 -70.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 110.009 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.15 78.78 0.42 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 178.49 175.96 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 0.773 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.29 131.04 32.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -134.3 114.1 12.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -54.17 174.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.427 ' HA ' HD23 ' A' ' 12' ' ' LEU . 10.2 mt -118.02 -179.14 3.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.455 ' C ' HG21 ' A' ' 56' ' ' VAL . 0.5 OUTLIER -167.88 152.39 6.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.761 HD21 HG22 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -38.03 -43.59 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.69 -55.08 14.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.62 -60.78 8.28 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.051 HD23 HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -51.81 -37.01 49.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 0.791 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.787 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.8 m -64.19 -55.01 24.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.423 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.444 ' HA ' HD13 ' A' ' 86' ' ' LEU . 12.2 t -38.37 -43.86 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.623 ' HG ' HD11 ' A' ' 51' ' ' LEU . 2.4 tp -65.36 -57.0 9.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.842 ' CD2' ' HB2' ' A' ' 52' ' ' ALA . 33.2 tp -41.43 -49.41 3.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.541 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -42.56 -49.14 5.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.03 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -64.85 -33.9 77.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.816 ' HG3' HD12 ' A' ' 51' ' ' LEU . 3.3 mmtt -62.17 -37.84 86.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.803 HG23 ' CD1' ' A' ' 42' ' ' LEU . 1.9 mp -72.9 -52.77 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.519 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -50.96 -37.9 47.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.519 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 1.9 mm-40 -67.17 -42.43 84.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.344 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.556 ' CE2' HD22 ' A' ' 42' ' ' LEU . 62.9 t80 -54.78 -33.09 60.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 111.06 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.837 ' CD1' HG13 ' A' ' 106' ' ' VAL . 9.0 mt -69.89 -48.61 57.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -63.8 -10.78 21.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -94.24 -49.41 5.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.132 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.542 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 22.9 mmtp -80.54 -14.38 58.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 29' ' ' LEU . 4.5 mptt 56.09 64.83 1.6 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.42 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -120.28 160.0 23.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -116.45 7.73 13.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.502 ' HB2' HD11 ' A' ' 103' ' ' LEU . 1.9 p -167.43 146.68 5.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.807 ' CE1' HD11 ' A' ' 42' ' ' LEU . 26.0 p90 -175.87 175.49 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 1.066 ' CE2' HD23 ' A' ' 103' ' ' LEU . 36.5 m-85 -120.16 151.65 38.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.475 ' CG ' ' HB3' ' A' ' 80' ' ' PHE . 1.4 tt0 -60.01 -38.42 82.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.457 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 8.5 pt20 -64.25 -43.84 93.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.457 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 13.9 mm-40 -55.72 -18.12 7.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 110.338 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.807 HD11 ' CE1' ' A' ' 37' ' ' PHE . 9.0 mt -96.79 -24.11 16.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.083 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.508 ' HG2' ' CD2' ' A' ' 80' ' ' PHE . 0.6 OUTLIER -60.44 -18.54 51.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.333 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.2 p -86.48 -12.18 49.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.379 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.575 ' HB ' HD12 ' A' ' 48' ' ' LEU . 36.3 t -78.44 119.34 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 48' ' ' LEU . 6.3 mm-40 -61.61 -63.13 1.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.3 m -39.78 -29.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.575 HD12 ' HB ' ' A' ' 45' ' ' VAL . 69.4 mt -83.39 -60.24 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.539 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.0 mt-30 -46.87 -46.39 21.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.37 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.94 -22.94 2.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.974 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.824 HD13 ' HA ' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -98.65 -55.57 2.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.842 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -63.57 -6.76 5.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.539 ' N ' ' O ' ' A' ' 49' ' ' GLN . 7.7 t -109.99 -17.64 13.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.013 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.499 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -43.36 157.91 0.25 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.246 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.638 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.97 168.96 23.67 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 111.028 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 1.051 HG11 HD23 ' A' ' 17' ' ' LEU . 0.9 OUTLIER 165.94 150.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.8 t -85.77 113.54 22.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.166 . . . . 0.0 110.389 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.743 ' CE1' HG13 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -148.05 170.66 17.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.605 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.36 171.61 11.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.96 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 52.7 m -111.24 124.58 52.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 110.409 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -129.16 -150.61 7.15 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.468 1.105 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.4 m -130.65 172.36 12.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 110.028 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -148.93 122.28 9.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -64.84 80.77 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.4 p -159.68 136.2 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -80.1 99.93 7.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.41 167.25 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -113.1 -64.06 1.36 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -154.73 165.25 37.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.22 163.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.971 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 139.05 -153.13 22.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -145.24 80.15 1.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 0.779 . . . . 0.0 110.423 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.3 t -128.46 -50.98 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.983 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -55.26 -23.07 32.13 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.135 . . . . 0.0 111.041 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 55.7 t -71.96 -68.28 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.421 ' O ' ' HB2' ' A' ' 80' ' ' PHE . . . -48.98 -26.48 2.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -61.68 -24.73 66.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.56 ' HG2' HG23 ' A' ' 79' ' ' VAL . 3.5 ptm180 -86.52 -27.98 23.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.152 . . . . 0.0 110.271 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.787 HG13 ' OG1' ' A' ' 18' ' ' THR . 10.5 t -86.93 -34.12 7.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.508 ' CD2' ' HG2' ' A' ' 43' ' ' GLU . 1.7 m-85 -68.05 -54.26 19.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.28 -41.15 65.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.639 ' HB3' HG21 ' A' ' 18' ' ' THR . 91.5 m-20 -64.82 -40.21 94.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.246 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.541 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -52.88 -56.84 12.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.561 HD11 ' CE1' ' A' ' 37' ' ' PHE . 3.4 mm? -52.86 -53.01 55.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -42.43 -57.04 2.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.762 ' CD1' HG22 ' A' ' 18' ' ' THR . 2.3 mt -49.72 -51.43 38.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.237 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.715 HD22 HD13 ' A' ' 92' ' ' LEU . 80.6 mt -48.21 -49.03 34.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.502 ' OE1' HG23 ' A' ' 93' ' ' VAL . 0.1 OUTLIER -62.6 -23.36 67.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 86' ' ' LEU . 1.1 mm-40 -85.3 -25.54 27.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.88 -28.58 17.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.743 ' O ' HG21 ' A' ' 107' ' ' THR . . . 102.46 21.45 10.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.715 HD13 HD22 ' A' ' 87' ' ' LEU . 7.5 mt -82.8 -31.74 28.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.502 HG23 ' OE1' ' A' ' 88' ' ' GLN . 2.4 m -147.25 176.53 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.652 ' CE1' ' CB ' ' A' ' 105' ' ' TYR . 28.5 p90 -163.24 151.7 13.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.443 ' HG3' ' CD1' ' A' ' 104' ' ' TYR . 39.0 mt-30 -93.19 134.18 35.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.503 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 0.2 OUTLIER -107.94 72.05 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.302 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 0.7 OUTLIER 155.58 -25.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.29 128.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 145.96 128.86 2.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -41.54 -52.24 3.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 109.983 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -99.22 76.34 2.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -136.05 160.57 38.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 1.066 HD23 ' CE2' ' A' ' 38' ' ' TYR . 1.8 tm? -63.37 130.97 46.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.801 ' N ' HD13 ' A' ' 103' ' ' LEU . 30.3 m-85 -98.55 131.57 44.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.907 ' CE1' HD12 ' A' ' 103' ' ' LEU . 3.8 m-85 -103.41 138.06 40.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.837 HG13 ' CD1' ' A' ' 29' ' ' LEU . 0.9 OUTLIER -79.45 161.01 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.743 HG21 ' O ' ' A' ' 91' ' ' GLY . 0.7 OUTLIER -121.11 138.52 54.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.396 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 15.3 t -41.5 158.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.65 143.84 32.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -145.08 40.4 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.36 -172.89 3.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -140.16 54.04 1.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -179.96 153.45 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -123.16 165.06 17.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.79 172.01 4.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.032 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -174.76 158.46 26.47 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -177.73 3.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.9 t -110.22 -57.82 2.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 179.46 -60.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.989 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.8 -60.24 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 55.31 170.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.961 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.35 121.23 1.57 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.44 87.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 0.0 109.973 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 p -169.32 168.63 9.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.986 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.36 141.12 4.11 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.548 1.155 . . . . 0.0 111.025 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 169.97 103.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 0.738 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.0 142.25 34.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -165.45 164.37 19.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.416 ' O ' ' O ' ' A' ' 12' ' ' LEU . 5.6 m120 -139.96 101.38 4.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.432 ' HA ' HD12 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -48.91 177.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -163.09 152.3 14.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.033 HD12 ' O ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -39.15 -31.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -93.53 -39.08 11.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -64.81 -47.77 79.4 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.111 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.004 HD23 HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -71.59 -33.08 68.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 109.275 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.956 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.2 m -63.19 -46.94 84.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.5 t -42.31 -46.12 4.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.834 HD12 HD11 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -63.97 -50.24 69.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.886 HD23 HG12 ' A' ' 79' ' ' VAL . 7.8 tp -44.0 -45.64 7.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.489 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 17.5 p -43.4 -56.38 3.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.015 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -61.02 -38.67 86.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.544 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . 30.8 mmtt -53.63 -41.34 66.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.679 HG21 HD11 ' A' ' 84' ' ' LEU . 1.5 mp -71.27 -54.97 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.481 ' HD2' ' CD2' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -49.58 -37.11 26.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.41 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 1.5 mm-40 -70.66 -41.77 71.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.359 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.543 ' CE2' HD22 ' A' ' 42' ' ' LEU . 50.5 t80 -53.42 -30.83 42.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.715 ' CD1' HG13 ' A' ' 106' ' ' VAL . 8.3 mt -72.34 -47.62 48.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -63.75 -11.68 28.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -93.7 -49.76 5.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.345 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 22.7 mmtp -80.51 -14.38 58.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' LEU . 17.3 mmtt 56.16 65.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.411 ' HE3' ' CD2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -119.69 168.27 11.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -123.39 6.56 9.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 p -166.74 147.63 6.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.972 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.788 ' CE2' HD11 ' A' ' 42' ' ' LEU . 33.5 p90 -176.66 164.7 2.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.941 ' CE2' HD23 ' A' ' 103' ' ' LEU . 54.1 m-85 -115.03 149.79 36.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.487 ' CG ' ' HB3' ' A' ' 80' ' ' PHE . 1.5 tt0 -54.25 -43.42 70.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.468 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 4.9 pt20 -56.33 -44.66 80.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.468 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 5.1 mm-40 -56.34 -20.62 19.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.788 HD11 ' CE2' ' A' ' 37' ' ' PHE . 8.4 mt -95.93 -23.5 16.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.433 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 1.3 mm-40 -61.61 -27.38 68.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.2 p -93.43 5.89 50.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.406 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.599 HG11 ' CD2' ' A' ' 48' ' ' LEU . 96.1 t -93.86 112.5 26.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 47' ' ' SER . 0.2 OUTLIER -51.24 -57.26 9.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.344 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' GLU . 18.8 m -37.25 -52.77 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.976 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.612 ' HB3' ' CE1' ' A' ' 80' ' ' PHE . 2.0 mm? -67.04 -65.95 0.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.567 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.6 mm-40 -38.27 -50.99 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.5 t -41.56 -27.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.834 HD11 HD12 ' A' ' 20' ' ' LEU . 2.4 tp -100.0 -50.68 3.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.637 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -63.3 -5.72 3.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.567 ' N ' ' O ' ' A' ' 49' ' ' GLN . 4.8 p -107.75 -22.61 12.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.465 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -43.54 156.61 0.28 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.662 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.0 168.27 25.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 1.004 HG11 HD23 ' A' ' 17' ' ' LEU . 0.9 OUTLIER 165.58 150.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 57' ' ' THR . 4.3 t -86.85 110.01 19.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.386 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -136.97 -178.73 5.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.578 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.36 -178.88 7.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.028 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 53.5 m 61.63 126.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 110.432 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.26 130.76 1.3 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 64' ' ' GLN . 1.2 t -179.68 -50.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 110.001 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.484 ' HB3' HG12 ' A' ' 65' ' ' VAL . 0.2 OUTLIER 68.0 -68.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.455 ' CB ' ' O ' ' A' ' 63' ' ' ASP . 0.5 OUTLIER 82.31 44.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.353 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.715 HG13 HD23 ' A' ' 67' ' ' LEU . 1.8 p -144.29 132.06 17.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -45.86 103.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.33 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.715 HD23 HG13 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -168.25 108.24 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt 40.84 85.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -96.94 92.68 6.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.13 79.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.002 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 39.8 -99.63 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.544 1.152 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.3 p -58.76 -167.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 0.737 . . . . 0.0 110.392 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.24 79.65 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.978 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 167.41 -37.89 0.23 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 51.3 t -60.21 -67.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.35 -38.42 19.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.417 ' N ' ' OE2' ' A' ' 43' ' ' GLU . 21.8 mt-30 -54.7 -20.45 8.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.496 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 66.4 mtt180 -92.04 -41.95 10.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.956 HG13 ' OG1' ' A' ' 18' ' ' THR . 33.1 t -66.57 -33.91 66.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.612 ' CE1' ' HB3' ' A' ' 48' ' ' LEU . 2.3 m-85 -67.53 -55.25 14.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -41.56 97.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.791 ' O ' HD12 ' A' ' 86' ' ' LEU . 94.4 m-20 -64.15 -20.17 65.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . -73.84 -44.34 55.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.679 HD11 HG21 ' A' ' 25' ' ' ILE . 2.9 mm? -62.78 -52.69 62.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -38.26 -55.39 1.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.791 HD12 ' O ' ' A' ' 82' ' ' ASN . 1.1 mt -54.63 -51.23 66.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.662 HD12 HD13 ' A' ' 84' ' ' LEU . 87.8 mt -48.76 -41.89 33.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.817 ' OE1' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -66.24 -27.48 67.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -77.72 -25.04 49.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.54 -28.83 18.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.449 ' O ' HG21 ' A' ' 107' ' ' THR . . . 102.27 19.7 13.82 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.629 HD13 HD22 ' A' ' 87' ' ' LEU . 8.5 mt -79.05 -41.23 29.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.817 HG23 ' OE1' ' A' ' 88' ' ' GLN . 1.8 m -137.56 174.29 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.401 ' CE1' ' HB2' ' A' ' 105' ' ' TYR . 48.6 p90 -163.3 154.84 17.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.489 ' NE2' ' CE1' ' A' ' 104' ' ' TYR . 29.8 mt-30 -116.18 118.07 31.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.514 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 0.8 OUTLIER -83.22 62.86 6.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 2.0 m-20 154.93 101.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.31 104.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -171.44 138.4 4.86 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.125 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 m -63.19 -45.75 90.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.83 76.94 2.0 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.2 mmtm -129.36 175.14 8.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.941 HD23 ' CE2' ' A' ' 38' ' ' TYR . 1.2 tm? -81.57 125.45 30.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.76 ' N ' HD13 ' A' ' 103' ' ' LEU . 64.8 m-85 -90.84 93.64 9.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.741 ' CD1' HD12 ' A' ' 103' ' ' LEU . 61.0 m-85 -75.54 140.96 43.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.715 HG13 ' CD1' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -82.88 164.11 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.638 ' O ' HG22 ' A' ' 108' ' ' THR . 1.2 t -100.19 -35.0 9.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.386 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.638 HG22 ' O ' ' A' ' 107' ' ' THR . 15.1 t 47.14 -167.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.22 169.76 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 65.42 115.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.32 170.53 15.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.362 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -140.74 -49.74 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 176.86 147.5 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -168.91 82.13 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.312 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.28 171.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 156.09 155.86 7.57 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 154.55 42.71 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.473 1.775 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.37 -57.34 3.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.002 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.6 m -60.25 148.06 37.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.029 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 t -171.99 120.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 109.989 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m 179.96 164.25 1.13 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.54 -71.11 0.22 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m 64.16 69.26 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 110.001 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 t -167.09 169.93 12.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.955 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.78 89.61 0.07 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.4 t30 175.77 98.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 0.797 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -174.54 117.11 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -160.34 107.85 1.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.82 -177.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 12' ' ' LEU . 8.8 mt -124.85 -176.72 3.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.679 ' HA ' HG12 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -170.91 155.2 4.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.775 ' N ' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -42.84 -36.42 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.26 -56.21 5.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.08 -53.47 44.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.47 1.106 . . . . 0.0 110.969 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.027 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -53.64 -36.68 62.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 0.744 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.591 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.3 m -68.67 -55.82 10.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.418 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.0 t -41.11 -32.09 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 21' ' ' LEU . 6.3 tp -76.05 -54.2 7.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.792 HD23 HG12 ' A' ' 79' ' ' VAL . 7.0 tp -40.13 -47.69 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.452 ' O ' HD21 ' A' ' 87' ' ' LEU . 70.1 p -40.46 -58.0 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.989 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 1.2 mt-10 -60.97 -32.91 72.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.36 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.781 ' HG3' HD22 ' A' ' 51' ' ' LEU . 8.4 mmtt -63.26 -36.73 84.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.76 HG23 ' CD1' ' A' ' 42' ' ' LEU . 4.8 mt -78.52 -54.17 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.515 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -48.52 -38.64 20.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.515 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 1.9 mm-40 -66.66 -43.3 84.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.57 ' CE1' ' HE3' ' A' ' 32' ' ' LYS . 47.2 t80 -55.99 -26.79 49.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.572 ' CD2' ' CE2' ' A' ' 37' ' ' PHE . 11.3 mt -76.5 -46.96 24.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -63.52 -10.54 18.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -94.22 -50.87 5.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.57 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 8.8 mmtp -80.99 -21.54 40.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.52 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER 55.57 67.52 1.0 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.56 ' SD ' ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -104.86 173.81 6.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -124.5 -6.65 7.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.552 ' HB2' HD21 ' A' ' 103' ' ' LEU . 8.6 p -169.0 136.87 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.977 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.572 ' CE2' ' CD2' ' A' ' 29' ' ' LEU . 8.4 p90 -164.3 168.44 18.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 1.087 ' CZ ' HD12 ' A' ' 103' ' ' LEU . 59.4 m-85 -113.1 154.74 26.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.529 ' HB2' ' CE2' ' A' ' 104' ' ' TYR . 1.5 tt0 -61.01 -36.76 80.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.501 ' O ' HG23 ' A' ' 44' ' ' THR . 11.3 pt20 -62.79 -30.15 71.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.267 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -67.96 -19.04 64.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.76 ' CD1' HG23 ' A' ' 25' ' ' ILE . 9.3 mt -99.12 -22.37 15.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.439 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 1.9 mm-40 -64.18 -27.18 68.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 40' ' ' GLN . 16.6 p -90.05 3.72 52.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.389 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.678 HG11 ' CD2' ' A' ' 48' ' ' LEU . 57.6 t -90.52 130.36 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 47' ' ' SER . 1.3 tt0 -66.83 -59.87 3.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 46' ' ' GLU . 38.1 m -37.27 -49.81 0.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.678 ' CD2' HG11 ' A' ' 45' ' ' VAL . 1.7 mm? -68.33 -67.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 53' ' ' SER . 3.1 mm-40 -38.46 -51.76 1.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.23 -28.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.781 HD22 ' HG3' ' A' ' 24' ' ' LYS . 1.8 tp -99.93 -49.49 4.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.246 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.532 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -61.59 -6.3 2.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 49' ' ' GLN . 69.4 m -113.94 -11.78 12.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.99 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 1.0 OUTLIER -54.02 160.22 2.42 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.457 ' C ' ' CG2' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.99 172.48 16.29 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.421 1.748 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.775 HG11 ' N ' ' A' ' 14' ' ' LEU . 1.9 t -152.36 -143.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.541 ' H ' HG12 ' A' ' 56' ' ' VAL . 9.4 t -162.69 53.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.412 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -111.74 -177.84 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.589 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.92 94.79 2.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.006 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.3 p -146.9 -167.21 2.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.372 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -130.06 -149.68 6.74 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.536 1.147 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.44 -57.97 0.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 0.75 . . . . 0.0 110.043 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.59 128.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -63.44 87.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.6 p -166.26 142.13 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 66.7 69.99 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 69.52 125.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -51.35 178.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 173.84 94.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.283 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.1 m -86.59 -67.74 0.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.968 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.87 -94.96 0.08 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.54 1.15 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -153.75 120.42 5.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 110.394 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.13 -57.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.955 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.02 -34.58 5.89 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.408 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 45.1 t -59.76 -65.6 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.39 -39.75 23.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -54.72 -21.26 10.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.501 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 86.3 mtt-85 -90.41 -40.37 12.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.792 HG12 HD23 ' A' ' 21' ' ' LEU . 40.0 t -67.06 -34.6 70.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.596 ' CZ ' ' HB3' ' A' ' 48' ' ' LEU . 3.1 m-85 -68.59 -54.84 14.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.954 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.414 ' NZ ' ' HB3' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -61.74 -41.94 98.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.586 ' O ' HD12 ' A' ' 86' ' ' LEU . 93.0 m-20 -63.46 -22.78 67.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 80' ' ' PHE . . . -71.36 -50.33 33.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.853 HD13 HD12 ' A' ' 87' ' ' LEU . 3.2 mm? -55.1 -51.0 67.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -38.55 -54.66 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.317 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 82' ' ' ASN . 1.0 OUTLIER -59.39 -41.79 90.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.879 HD22 HD13 ' A' ' 92' ' ' LEU . 90.5 mt -57.25 -43.54 83.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -64.65 -19.53 65.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.255 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -87.96 -26.84 22.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 110.259 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.75 -29.63 22.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.24 17.63 15.34 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.879 HD13 HD22 ' A' ' 87' ' ' LEU . 4.3 mt -78.23 -34.7 49.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.3 m -142.24 176.41 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.59 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 12.8 p90 -162.24 148.81 13.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.466 ' NE2' ' CE1' ' A' ' 104' ' ' TYR . 17.9 mt-30 -119.18 121.58 40.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.409 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 29.4 mtp180 -87.58 55.1 3.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 0.7 OUTLIER 162.91 -49.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.52 168.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.015 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 101' ' ' ASP . . . 132.29 42.85 0.17 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 99' ' ' GLY . 0.9 OUTLIER 37.93 31.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 0.775 . . . . 0.0 110.001 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 99' ' ' GLY . 55.3 p30 -169.06 44.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -135.18 171.21 14.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 1.087 HD12 ' CZ ' ' A' ' 38' ' ' TYR . 6.1 tt -81.74 153.54 26.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.529 ' CE2' ' HB2' ' A' ' 39' ' ' GLN . 46.9 m-85 -111.04 91.89 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.59 ' HB3' ' CZ ' ' A' ' 94' ' ' PHE . 68.4 m-85 -71.25 116.42 11.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.419 ' HB ' HD13 ' A' ' 29' ' ' LEU . 1.8 p -79.77 151.34 4.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 11.3 t -58.1 141.4 50.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.385 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.41 ' CG2' ' N ' ' A' ' 109' ' ' LYS . 6.1 t -174.34 -46.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.386 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.41 ' N ' ' CG2' ' A' ' 108' ' ' THR . 0.0 OUTLIER -160.53 72.17 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -141.68 84.19 1.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -127.49 -175.8 3.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.409 ' O ' ' HB3' ' A' ' 113' ' ' LEU . 49.3 m-20 -51.79 -39.42 58.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.442 ' HG ' ' N ' ' A' ' 114' ' ' GLN . 0.2 OUTLIER 68.1 146.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.442 ' N ' ' HG ' ' A' ' 113' ' ' LEU . 1.8 mt-30 -107.21 168.86 8.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 110.3 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 114' ' ' GLN . 2.5 t -39.01 143.0 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 167.98 168.33 29.95 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 81.75 2.15 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.468 1.772 . . . . 0.0 111.028 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 51.7 p -171.22 171.49 5.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 58.4 m -152.47 147.07 25.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m -169.03 141.87 2.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 0.791 . . . . 0.0 109.964 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.74 163.17 16.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.94 160.26 8.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -143.06 -59.6 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.783 . . . . 0.0 109.981 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t 66.53 150.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.031 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.65 103.62 1.84 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.56 1.162 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.6 t30 179.16 161.18 0.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 0.731 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.68 172.48 5.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -125.33 -59.71 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 71.87 170.0 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' A' ' 12' ' ' LEU . 9.8 mt -135.16 177.24 7.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.516 ' C ' HG21 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -161.46 152.86 18.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.54 ' HB2' ' CD2' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -39.2 -34.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.22 -48.97 14.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -60.6 -57.26 19.84 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.992 HD23 HG11 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -54.04 -39.72 66.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.34 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.487 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.2 m -60.34 -59.93 4.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 110.434 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 18' ' ' THR . 7.7 t -38.53 -35.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 110.042 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.42 ' HG ' HD21 ' A' ' 51' ' ' LEU . 4.0 tp -71.8 -53.97 11.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.995 ' CD1' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -41.28 -50.45 3.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.498 ' O ' ' HB3' ' A' ' 26' ' ' LYS . 52.5 p -35.23 -58.72 0.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.477 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . 1.7 mm-40 -59.53 -36.67 76.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.616 ' HG3' HD22 ' A' ' 51' ' ' LEU . 23.1 mmtt -64.3 -55.97 17.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.995 HD11 ' CD1' ' A' ' 21' ' ' LEU . 7.2 mt -58.63 -49.47 82.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.511 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -55.56 -39.68 70.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.511 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 1.7 mm-40 -60.93 -42.3 97.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.584 ' CE1' ' HE3' ' A' ' 32' ' ' LYS . 84.5 t80 -56.98 -36.17 70.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.613 HD21 ' CZ ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -61.27 -48.84 79.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -69.86 -14.31 62.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -83.93 -43.46 15.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.616 ' HB2' ' SD ' ' A' ' 34' ' ' MET . 22.3 mmtp -91.54 -23.3 19.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER 58.96 67.57 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.616 ' SD ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -110.35 177.89 4.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 111.042 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -124.41 -5.28 7.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.296 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.743 ' HB2' HD11 ' A' ' 103' ' ' LEU . 0.2 OUTLIER -168.22 142.83 3.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.019 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.675 ' CE1' HD11 ' A' ' 42' ' ' LEU . 38.2 p90 -163.71 161.37 23.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 1.088 ' CE2' HD23 ' A' ' 103' ' ' LEU . 44.6 m-85 -109.92 153.54 24.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.971 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -50.34 -33.8 21.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.408 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 5.4 pt20 -69.62 -41.79 75.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.408 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 16.5 mm-40 -56.06 -17.58 7.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.871 HD13 HG23 ' A' ' 25' ' ' ILE . 11.1 mt -104.24 -18.42 14.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.449 ' O ' ' CD ' ' A' ' 49' ' ' GLN . 8.1 mt-10 -68.0 -6.58 23.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.284 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.1 p -107.82 -2.61 19.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.378 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.498 HG21 ' CZ ' ' A' ' 28' ' ' PHE . 77.2 t -84.92 93.85 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.425 ' C ' ' N ' ' A' ' 48' ' ' LEU . 0.4 OUTLIER -46.59 -58.92 3.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 110.284 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.4 m -41.95 -28.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.974 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.505 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 18.0 mt -90.3 -61.12 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.496 ' O ' ' N ' ' A' ' 53' ' ' SER . 1.9 mt-30 -43.34 -46.29 6.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.57 -26.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.975 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.616 HD22 ' HG3' ' A' ' 24' ' ' LYS . 1.9 tp -98.86 -48.33 4.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.464 ' HB2' HD11 ' A' ' 21' ' ' LEU . . . -62.74 -8.49 6.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 49' ' ' GLN . 57.9 m -113.03 -19.19 11.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -41.72 159.38 0.18 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.641 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.95 169.12 23.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.778 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.992 HG11 HD23 ' A' ' 17' ' ' LEU . 1.2 p 164.59 150.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.8 t -81.94 119.85 24.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.54 ' CD2' ' HB2' ' A' ' 14' ' ' LEU . 1.5 p80 -175.39 170.48 3.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.585 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.2 p -63.53 -177.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.985 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 64.8 p -124.93 165.12 18.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.377 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -160.6 -164.87 16.31 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.6 p -158.48 171.58 19.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 110.008 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.57 150.3 15.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -66.49 76.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.5 p -155.8 131.6 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -128.23 55.34 1.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.24 -63.91 0.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -128.09 55.27 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 48.75 88.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.0 m 40.01 90.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.971 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -144.32 71.17 0.38 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 111.042 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 59.5 p 38.72 88.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 110.449 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.73 -61.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.03 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.65 -39.5 16.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.446 1.091 . . . . 0.0 111.041 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.2 t -61.9 -61.91 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 0.79 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.92 -32.78 21.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -62.47 -17.43 59.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.497 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 80.5 mtt-85 -93.93 -29.76 15.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.344 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.778 HG12 HD12 ' A' ' 21' ' ' LEU . 20.7 t -77.93 -32.43 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.475 ' O ' HD12 ' A' ' 84' ' ' LEU . 1.3 m-85 -76.79 -30.55 56.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.43 ' NZ ' ' HB3' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -86.25 -37.53 18.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 78' ' ' ARG . 87.0 m-20 -71.31 -45.41 63.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.548 ' CB ' ' HB3' ' A' ' 21' ' ' LEU . . . -58.75 -42.04 87.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.704 HD23 HD12 ' A' ' 87' ' ' LEU . 45.4 mt -62.94 -32.78 74.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.9 -57.91 10.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 83' ' ' ALA . 1.2 mp -48.82 -42.42 36.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.831 HD22 HD13 ' A' ' 92' ' ' LEU . 79.6 mt -53.54 -44.07 68.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.357 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.424 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 6.5 mt-30 -65.68 -21.22 66.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -86.36 -30.83 21.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.44 ' HB2' HD12 ' A' ' 92' ' ' LEU . 1.2 mttm -83.53 -29.97 27.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.94 16.64 16.32 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.461 1.101 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.831 HD13 HD22 ' A' ' 87' ' ' LEU . 3.1 mt -76.79 -31.43 56.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 88' ' ' GLN . 1.2 m -146.33 172.49 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.582 ' CD1' ' HB2' ' A' ' 105' ' ' TYR . 39.9 p90 -163.81 145.99 9.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.442 ' OE1' ' CE2' ' A' ' 104' ' ' TYR . 22.1 mt-30 -117.05 136.58 52.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.245 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -96.28 -45.84 6.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.15 -21.31 61.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.03 166.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.097 . . . . 0.0 109.988 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 106.84 149.93 16.71 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.456 1.098 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.7 t -68.55 142.44 55.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 109.989 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 44.7 t0 63.89 53.86 1.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.538 ' O ' ' CD1' ' A' ' 104' ' ' TYR . 27.3 mmtt -124.35 175.33 7.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 1.088 HD23 ' CE2' ' A' ' 38' ' ' TYR . 1.3 tm? -75.33 124.06 26.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.538 ' CD1' ' O ' ' A' ' 102' ' ' LYS . 59.6 m-85 -102.64 114.26 28.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.867 ' CE1' HD12 ' A' ' 103' ' ' LEU . 20.5 m-30 -80.62 124.22 28.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.573 HG22 ' CE2' ' A' ' 37' ' ' PHE . 1.6 t -67.15 163.54 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 108' ' ' THR . 9.7 t -89.82 -172.72 3.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.404 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.6 HG23 ' H ' ' A' ' 109' ' ' LYS . 0.5 OUTLIER -37.33 -60.42 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.382 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.6 ' H ' HG23 ' A' ' 108' ' ' THR . 0.5 OUTLIER 69.24 82.06 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -44.38 103.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.79 -178.64 6.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -164.28 164.26 22.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.5 tt -41.1 110.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -177.14 159.13 1.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.1 t -47.32 -62.72 1.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.963 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 58.89 91.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 172.08 17.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.9 p -171.39 159.58 5.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.025 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 89.1 p -151.37 155.06 37.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 179.965 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.67 152.17 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 0.783 . . . . 0.0 110.018 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.9 p -165.59 171.38 13.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.038 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.48 -170.85 20.75 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.96 139.15 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 109.993 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.97 157.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.2 174.42 41.79 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.449 1.093 . . . . 0.0 110.963 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -131.44 168.09 18.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.35 174.45 12.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 59.19 112.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -68.22 175.03 3.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.44 ' HA ' HD23 ' A' ' 12' ' ' LEU . 9.9 mt -115.26 178.1 4.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.492 ' C ' HG21 ' A' ' 56' ' ' VAL . 1.7 m-20 -166.75 155.88 10.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.965 HD12 ' O ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -37.52 -40.55 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.34 -47.69 19.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -57.22 -54.99 32.8 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.058 HD23 HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -63.52 -28.93 70.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 109.301 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.906 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.0 OUTLIER -66.52 -51.2 59.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.398 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 18' ' ' THR . 22.7 t -38.47 -37.36 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.556 HD12 HD11 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -73.44 -55.22 6.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.984 HD23 HG12 ' A' ' 79' ' ' VAL . 13.9 tp -42.66 -43.15 3.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.676 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 5.2 p -39.14 -55.98 1.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.04 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.59 -37.42 86.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.757 ' HG3' HD22 ' A' ' 51' ' ' LEU . 21.9 mmtt -55.0 -40.76 70.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.597 HG21 ' CD2' ' A' ' 84' ' ' LEU . 1.3 mp -72.12 -51.5 30.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.497 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -55.96 -39.11 71.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.497 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 1.4 mm-40 -65.41 -44.41 87.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.699 ' CZ ' HG21 ' A' ' 45' ' ' VAL . 76.7 t80 -50.4 -35.57 28.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 33' ' ' LYS . 9.1 mt -66.81 -46.34 75.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -63.55 -14.14 48.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -94.0 -48.21 6.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.568 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 16.6 mmtp -79.83 -16.11 56.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 29' ' ' LEU . 8.4 mttt 57.74 65.7 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.405 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -128.76 146.41 50.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 110.981 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.519 ' HA ' HG13 ' A' ' 106' ' ' VAL . 27.3 mt-30 -106.6 8.53 31.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 p -166.7 136.76 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.601 ' CD2' HD21 ' A' ' 42' ' ' LEU . 37.0 p90 -166.62 -176.1 3.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.955 ' CZ ' HD23 ' A' ' 103' ' ' LEU . 91.9 m-85 -128.77 147.7 50.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.727 ' HA ' HD23 ' A' ' 42' ' ' LEU . 2.4 tt0 -53.4 -24.87 13.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.5 ' O ' HG23 ' A' ' 44' ' ' THR . 6.6 pt20 -74.54 -13.22 60.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.533 ' O ' HG23 ' A' ' 45' ' ' VAL . 18.7 mm-40 -83.63 -14.27 52.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.874 HD22 ' N ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -106.69 -20.85 13.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.471 ' OE2' ' CD2' ' A' ' 80' ' ' PHE . 5.5 mm-40 -65.24 -28.34 69.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 40' ' ' GLN . 3.1 p -93.94 -1.83 54.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.417 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.699 HG21 ' CZ ' ' A' ' 28' ' ' PHE . 99.0 t -89.32 106.68 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 47' ' ' SER . 0.0 OUTLIER -47.58 -54.36 11.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.292 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -38.11 -51.27 1.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.948 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.645 ' HB3' ' CE1' ' A' ' 80' ' ' PHE . 2.4 mm? -67.49 -65.84 0.64 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.558 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.0 mt-30 -38.11 -48.45 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.6 t -42.84 -28.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.005 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.816 HD23 ' HB2' ' A' ' 21' ' ' LEU . 1.7 tp -100.2 -50.66 3.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.476 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -61.43 -8.39 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.558 ' N ' ' O ' ' A' ' 49' ' ' GLN . 51.7 p -108.48 -23.8 11.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.995 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.472 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.7 OUTLIER -39.58 159.5 0.12 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.663 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -74.98 166.34 29.42 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 1.058 HG11 HD23 ' A' ' 17' ' ' LEU . 0.6 OUTLIER 167.11 150.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.534 HG23 ' O ' ' A' ' 57' ' ' THR . 4.3 t -88.14 88.97 7.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.402 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.438 ' CE1' HG13 ' A' ' 56' ' ' VAL . 0.5 OUTLIER -117.67 170.94 8.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.608 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.6 t -144.36 95.65 2.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.018 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.9 t -166.6 168.88 14.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -160.97 149.69 18.93 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.132 . . . . 0.0 111.042 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.93 175.41 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 109.994 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 167.86 119.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -85.61 12.41 8.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 64' ' ' GLN . 5.9 t 38.44 64.06 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -162.07 72.75 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 tp -166.6 144.31 5.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.355 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.38 158.63 31.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 56.25 166.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.23 168.3 14.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.971 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.95 -162.57 12.38 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.2 t -63.51 139.77 58.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 0.751 . . . . 0.0 110.412 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.413 ' O ' ' HB3' ' A' ' 76' ' ' ALA . 0.5 OUTLIER 166.5 -49.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.005 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.495 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . -47.46 -48.8 21.58 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 79' ' ' VAL . 77.5 t -43.09 -42.73 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -61.28 -43.43 98.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.495 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 10.8 mt-30 -52.45 -20.14 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.463 ' NH1' ' C ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -89.87 -32.32 16.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.286 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.984 HG12 HD23 ' A' ' 21' ' ' LEU . 12.8 t -77.61 -37.68 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.645 ' CE1' ' HB3' ' A' ' 48' ' ' LEU . 7.8 m-85 -64.1 -49.34 72.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 111.041 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -43.93 85.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.475 ' HB3' HG21 ' A' ' 18' ' ' THR . 91.5 m-20 -60.39 -44.47 95.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.676 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -53.86 -47.32 71.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.683 HD23 HD12 ' A' ' 87' ' ' LEU . 17.6 mt -57.53 -51.12 70.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 84' ' ' LEU . 0.8 OUTLIER -37.64 -56.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.447 HD11 HG22 ' A' ' 18' ' ' THR . 1.0 OUTLIER -54.32 -46.68 72.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.787 HD22 HD13 ' A' ' 92' ' ' LEU . 73.4 mt -49.91 -44.75 50.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -64.12 -25.18 67.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.257 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -80.49 -34.64 35.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.44 ' HB2' HD12 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -79.57 -28.82 41.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.14 17.8 17.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.787 HD13 HD22 ' A' ' 87' ' ' LEU . 3.1 mt -76.3 -37.03 58.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 0.738 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 105' ' ' TYR . 1.3 m -139.76 176.24 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 6.5 p90 -162.86 146.23 11.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -107.93 127.33 53.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -101.31 -66.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.097 . . . . 0.0 110.282 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 98' ' ' SER . 60.0 m-20 -52.91 -23.82 7.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 97' ' ' ASP . 0.4 OUTLIER 61.0 141.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.411 ' CA ' ' HG3' ' A' ' 102' ' ' LYS . . . 133.25 159.04 8.96 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.537 1.148 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.2 p -58.94 -73.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.753 . . . . 0.0 109.975 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -79.13 75.45 5.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.411 ' HG3' ' CA ' ' A' ' 99' ' ' GLY . 37.2 mmtt -132.45 163.84 27.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.955 HD23 ' CZ ' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -75.94 127.56 33.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.806 ' N ' HD13 ' A' ' 103' ' ' LEU . 55.0 m-85 -95.23 104.06 15.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.865 ' CD1' HD12 ' A' ' 103' ' ' LEU . 22.5 m-30 -73.83 126.82 31.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.519 HG13 ' HA ' ' A' ' 35' ' ' GLN . 0.7 OUTLIER -101.18 147.35 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 106' ' ' VAL . 1.7 t -38.75 144.1 0.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.39 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.43 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 8.8 t -41.3 -45.9 3.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.423 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 111' ' ' LYS . 2.9 ttpm? 49.31 92.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 109' ' ' LYS . 0.3 OUTLIER -39.44 99.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 109' ' ' LYS . 0.2 OUTLIER -116.69 -168.45 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.42 98.8 11.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 68.04 -179.01 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.11 102.57 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 80.5 p -50.62 -179.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.998 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -118.51 150.1 18.16 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 161.72 38.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.56 1.821 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 29.1 t -166.41 117.12 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.8 p -64.25 145.33 56.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.05 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.494 1.121 . . . . 0.0 110.966 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 m -152.23 169.76 21.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.773 . . . . 0.0 110.0 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -175.62 168.57 3.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.63 -115.3 0.33 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.76 150.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 110.003 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -177.09 152.3 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.35 174.75 37.39 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -157.21 94.68 1.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 0.78 . . . . 0.0 109.375 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.21 161.33 2.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.356 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -168.69 -64.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 12' ' ' LEU . 85.3 m-20 59.05 81.36 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 12' ' ' LEU . 0.6 OUTLIER -51.12 -178.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.608 ' HA ' HG12 ' A' ' 56' ' ' VAL . 0.1 OUTLIER 174.84 158.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.819 ' N ' HG11 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -41.82 -28.32 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 13' ' ' ASP . . . -94.01 -38.49 11.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -66.03 -51.56 44.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.901 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -66.68 -32.96 74.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.685 ' OG1' HG13 ' A' ' 79' ' ' VAL . 0.9 OUTLIER -60.81 -56.12 24.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 110.394 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.4 t -39.98 -45.6 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.972 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.65 HD12 HD11 ' A' ' 51' ' ' LEU . 1.4 tm? -61.92 -50.45 72.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.04 HD23 HG12 ' A' ' 79' ' ' VAL . 7.3 tp -47.59 -44.15 26.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.477 ' O ' HD21 ' A' ' 87' ' ' LEU . 3.5 p -43.22 -50.74 6.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.972 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 4.2 mt-10 -65.08 -30.18 71.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.721 ' HB2' HD12 ' A' ' 21' ' ' LEU . 12.3 mmtt -65.94 -42.32 90.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.729 HG21 HD21 ' A' ' 84' ' ' LEU . 3.0 mt -73.13 -45.39 54.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.512 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -58.99 -38.61 79.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.512 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 4.7 mm-40 -69.73 -44.84 69.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.812 ' CE1' HG21 ' A' ' 45' ' ' VAL . 77.9 t80 -43.73 -39.58 3.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.729 HD22 ' O ' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -61.43 -46.08 91.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -66.87 -15.39 63.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -90.43 -48.15 7.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.571 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 24.1 mmtp -80.95 -16.41 53.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER 57.8 64.68 1.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.457 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -127.56 143.11 51.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 110.985 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -96.16 1.11 52.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.412 ' CB ' HD11 ' A' ' 103' ' ' LEU . 0.3 OUTLIER -165.04 141.14 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.984 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.563 ' CD2' HD21 ' A' ' 42' ' ' LEU . 44.5 p90 -165.17 -179.48 5.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 1.0 ' CZ ' HD23 ' A' ' 103' ' ' LEU . 97.4 m-85 -125.8 149.27 48.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.742 ' HA ' HD23 ' A' ' 42' ' ' LEU . 26.6 tt0 -53.18 -25.8 15.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.503 ' O ' HG23 ' A' ' 44' ' ' THR . 6.3 pt20 -73.37 -13.95 61.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.563 ' O ' HG23 ' A' ' 45' ' ' VAL . 14.7 mm-40 -83.24 -10.75 58.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.884 HD22 ' N ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -110.14 -21.22 12.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.471 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 39.2 mt-10 -65.0 -29.91 70.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 40' ' ' GLN . 2.2 p -93.48 -2.69 54.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 110.362 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.812 HG21 ' CE1' ' A' ' 28' ' ' PHE . 95.9 t -87.51 96.93 6.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -40.85 -49.29 3.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.261 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.63 -50.7 4.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.991 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.636 ' HB3' ' CE1' ' A' ' 80' ' ' PHE . 2.7 mm? -69.39 -64.3 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.544 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.0 mm-40 -39.83 -48.44 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.263 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.87 -27.8 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.675 HD23 ' HB2' ' A' ' 21' ' ' LEU . 2.4 tp -99.97 -46.78 5.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.639 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -66.69 -3.07 5.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.544 ' N ' ' O ' ' A' ' 49' ' ' GLN . 24.0 t -113.94 -13.58 12.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.995 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.426 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -51.11 159.08 1.09 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.443 ' C ' ' CG2' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.04 168.34 25.03 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.819 HG11 ' N ' ' A' ' 14' ' ' LEU . 1.7 t -151.39 -143.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.495 ' H ' HG12 ' A' ' 56' ' ' VAL . 40.5 p -105.22 23.15 14.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -69.36 152.75 44.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.578 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.16 61.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.4 m -155.54 -67.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.393 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.67 119.4 1.17 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.448 1.093 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 t -170.54 83.53 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 0.765 . . . . 0.0 110.033 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 179.79 61.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -94.4 105.74 17.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -107.79 -169.99 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -98.39 64.06 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -91.46 -166.7 1.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -59.8 -67.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 177.84 87.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.267 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -172.59 155.79 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.002 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -101.47 52.22 0.89 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.18 122.0 2.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.415 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 p 179.1 147.25 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 110.048 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 86.31 -44.02 3.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.452 ' O ' HG23 ' A' ' 79' ' ' VAL . 50.2 t -43.16 -62.39 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 0.773 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.2 -49.09 61.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -51.48 -31.02 22.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.285 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.52 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 74.6 mtt-85 -77.72 -33.97 52.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 1.04 HG12 HD23 ' A' ' 21' ' ' LEU . 21.2 t -72.84 -32.7 41.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.636 ' CE1' ' HB3' ' A' ' 48' ' ' LEU . 5.4 m-85 -69.94 -35.99 74.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.504 ' CB ' ' OE1' ' A' ' 39' ' ' GLN . 0.1 OUTLIER -79.78 -45.98 17.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.66 ' O ' HD12 ' A' ' 86' ' ' LEU . 86.2 m-20 -61.17 -30.35 70.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.9 -42.22 70.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.729 HD21 HG21 ' A' ' 25' ' ' ILE . 23.5 mt -62.65 -47.85 81.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -41.17 -54.87 2.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 82' ' ' ASN . 1.1 mp -52.54 -44.48 65.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.699 HD12 HD23 ' A' ' 84' ' ' LEU . 29.0 mt -51.9 -45.75 64.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -64.91 -20.21 66.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -87.6 -29.63 21.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.448 ' HB2' HD12 ' A' ' 92' ' ' LEU . 6.9 mttm -85.49 -29.45 24.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.13 16.24 19.36 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.483 1.115 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.684 HD13 HD22 ' A' ' 87' ' ' LEU . 3.1 mt -76.97 -33.62 57.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.425 ' HA ' ' O ' ' A' ' 105' ' ' TYR . 1.2 m -142.14 172.49 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.24 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 31.8 p90 -162.25 148.54 13.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.535 ' OE1' ' CE1' ' A' ' 104' ' ' TYR . 33.4 mt-30 -115.79 118.13 32.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.264 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.405 ' O ' ' CG ' ' A' ' 97' ' ' ASP . 2.5 mtt180 -105.61 75.67 1.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 96' ' ' ARG . 4.0 m-20 175.3 -35.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.0 p 77.06 116.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.974 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 162.13 179.41 36.75 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.546 1.154 . . . . 0.0 111.046 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.8 p -93.85 -59.66 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 109.979 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -88.27 79.03 7.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -136.17 166.19 23.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 1.0 HD23 ' CZ ' ' A' ' 38' ' ' TYR . 1.1 tm? -75.99 127.07 32.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.81 ' N ' HD13 ' A' ' 103' ' ' LEU . 64.3 m-85 -91.94 104.81 17.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.886 ' CD1' HD12 ' A' ' 103' ' ' LEU . 23.3 m-30 -75.15 132.29 41.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.426 HG22 ' CE1' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -85.78 162.06 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 92' ' ' LEU . 4.9 t -94.02 129.81 40.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.374 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.7 t -63.36 134.6 56.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 110.429 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.35 73.47 9.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.3 102.67 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.9 mttt 40.83 87.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 114' ' ' GLN . 0.1 OUTLIER -162.14 128.25 3.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.8 mp 60.77 -84.66 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 112' ' ' ASP . 6.9 mt-30 -101.36 162.58 12.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 88.1 p -163.76 164.16 23.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 134.75 168.94 11.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.141 . . . . 0.0 111.045 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.6 35.53 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.454 1.765 . . . . 0.0 111.039 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.4 t -109.19 -59.83 1.84 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 110.039 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 96.6 p -53.72 139.58 32.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.953 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.102 . . . . 0.0 110.975 -179.964 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t 64.58 146.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 0.79 . . . . 0.0 109.978 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -130.97 165.9 22.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.984 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.42 152.86 21.82 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.7 p -133.55 -64.69 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 110.035 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.69 161.65 15.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 110.032 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.0 173.71 14.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 0.0 111.054 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -176.71 168.89 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.88 170.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -143.34 -51.25 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 60.43 176.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.475 ' HA ' HD23 ' A' ' 12' ' ' LEU . 7.7 mt -125.89 -174.81 3.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.436 ' C ' HG21 ' A' ' 56' ' ' VAL . 3.1 p-10 -174.79 155.62 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.87 HD12 ' O ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -37.43 -47.34 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.25 -55.5 15.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.075 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.41 -59.62 9.35 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.089 HD23 HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -55.26 -36.98 66.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.704 HG22 HD11 ' A' ' 86' ' ' LEU . 1.7 m -62.94 -52.67 62.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.424 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.42 ' HA ' HD13 ' A' ' 86' ' ' LEU . 8.4 t -40.75 -50.62 3.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.041 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.68 ' HG ' HD11 ' A' ' 51' ' ' LEU . 3.9 tp -57.47 -57.28 13.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.822 ' HA ' HD13 ' A' ' 51' ' ' LEU . 19.7 tp -41.72 -48.28 4.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.502 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 4.1 p -41.38 -52.23 3.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 110.025 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 3.6 mt-10 -63.5 -34.9 78.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.909 ' HG3' HD12 ' A' ' 51' ' ' LEU . 3.5 mmtt -61.6 -43.95 97.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.678 HG23 ' HG ' ' A' ' 42' ' ' LEU . 5.0 mt -73.02 -47.82 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.515 ' HD2' ' CD2' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -56.18 -37.11 69.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 23' ' ' GLU . 1.4 mm-40 -66.77 -42.36 86.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.573 ' CE1' ' HE3' ' A' ' 32' ' ' LYS . 83.6 t80 -54.69 -28.85 50.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 33' ' ' LYS . 9.7 mt -71.07 -48.75 50.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -64.56 -11.93 39.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -93.76 -47.05 6.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.573 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 14.5 mmtp -83.02 -10.71 58.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER 48.47 61.72 2.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.464 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -112.01 158.57 19.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 111.054 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -109.73 -0.75 18.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.253 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.418 ' CB ' HD11 ' A' ' 103' ' ' LEU . 0.3 OUTLIER -166.6 150.71 7.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.972 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.638 ' O ' HD22 ' A' ' 103' ' ' LEU . 43.6 p90 -174.06 -175.41 1.03 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.956 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.945 ' CZ ' HD23 ' A' ' 103' ' ' LEU . 82.9 m-85 -130.16 145.61 51.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.678 ' HA ' HD23 ' A' ' 42' ' ' LEU . 1.8 tt0 -52.48 -29.39 24.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.445 ' O ' HG23 ' A' ' 44' ' ' THR . 3.9 pt20 -71.94 -13.48 61.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.318 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.458 ' C ' HD22 ' A' ' 42' ' ' LEU . 5.9 mm-40 -83.66 -10.26 58.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.827 HD22 ' N ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -103.1 -23.63 13.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.505 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 3.6 mm-40 -66.65 -23.59 66.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 40' ' ' GLN . 9.0 p -82.16 -17.31 46.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.455 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.848 ' HB ' HD12 ' A' ' 48' ' ' LEU . 38.4 t -81.07 111.11 17.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -52.86 -62.52 1.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.5 m -38.79 -30.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.082 . . . . 0.0 109.976 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.848 HD12 ' HB ' ' A' ' 45' ' ' VAL . 88.8 mt -84.36 -56.99 3.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 2.0 mt-30 -47.53 -44.17 25.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.245 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.405 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 4.9 t -53.6 -21.15 6.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.983 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.909 HD12 ' HG3' ' A' ' 24' ' ' LYS . 0.6 OUTLIER -98.45 -54.37 3.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.808 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -65.88 -4.94 7.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 49' ' ' GLN . 40.2 p -111.73 -14.95 13.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.995 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 1.8 mtt180 -47.98 157.87 0.6 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.641 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.01 169.51 22.47 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.45 1.763 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 1.089 HG11 HD23 ' A' ' 17' ' ' LEU . 0.9 OUTLIER 166.43 150.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.247 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 57' ' ' THR . 4.4 t -46.49 99.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 110.392 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -117.56 172.78 7.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.588 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.2 p -158.81 152.63 23.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.585 1.178 . . . . 0.0 109.979 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.0 t -42.3 143.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.87 -149.78 5.13 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.58 -57.42 2.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 110.026 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 46.15 58.13 4.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -95.29 106.23 18.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.4 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -112.55 -170.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 65' ' ' VAL . 7.5 mt-10 -143.21 35.01 1.34 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.2 mp -100.07 -81.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.14 179.32 6.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -128.39 124.86 37.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.2 t -176.05 -60.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.958 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 133.63 56.26 0.07 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.559 1.162 . . . . 0.0 111.002 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.421 ' O ' ' CB ' ' A' ' 73' ' ' SER . 14.9 t -173.18 165.36 4.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 110.398 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 72' ' ' THR . 2.4 m 79.42 -58.8 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.033 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -49.2 -27.09 7.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.574 HG13 ' N ' ' A' ' 76' ' ' ALA . 11.3 p -71.6 -56.0 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.574 ' N ' HG13 ' A' ' 75' ' ' VAL . . . -60.68 -24.05 65.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -64.15 -28.26 69.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.553 ' HG2' HG23 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -81.12 -26.44 36.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.699 HG13 ' OG1' ' A' ' 18' ' ' THR . 6.5 t -88.53 -35.04 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.516 ' CE2' ' HB3' ' A' ' 52' ' ' ALA . 1.9 m-85 -70.6 -51.82 25.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.142 . . . . 0.0 110.967 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 82' ' ' ASN . 0.3 OUTLIER -55.6 -38.62 69.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.655 ' HB3' HG21 ' A' ' 18' ' ' THR . 92.0 m-20 -68.35 -40.07 81.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.502 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -51.77 -58.07 7.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.634 HD13 HD12 ' A' ' 87' ' ' LEU . 3.6 mm? -50.44 -51.43 46.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.64 -61.57 1.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.704 HD11 HG22 ' A' ' 18' ' ' THR . 1.3 mt -45.66 -51.38 12.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.634 HD12 HD13 ' A' ' 84' ' ' LEU . 49.3 mt -46.97 -42.72 18.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.763 ' OE1' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -65.68 -29.12 69.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.291 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 86' ' ' LEU . 0.7 OUTLIER -75.86 -25.4 56.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.541 ' HB2' HD12 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -89.7 -30.18 18.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 106.36 9.07 32.17 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.525 1.141 . . . . 0.0 111.043 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.577 HD13 HD22 ' A' ' 87' ' ' LEU . 2.0 mt -67.39 -46.9 71.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.763 HG23 ' OE1' ' A' ' 88' ' ' GLN . 3.2 m -132.08 178.1 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.576 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 20.4 p90 -163.53 156.76 18.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -119.92 133.68 55.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -108.23 -53.12 2.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -57.86 -22.08 46.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.2 m 62.08 131.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 110.018 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 136.39 144.27 4.81 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 t -54.47 -58.54 7.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.006 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -85.01 67.39 10.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -130.61 168.2 17.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.945 HD23 ' CZ ' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -77.66 125.38 29.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.787 ' N ' HD13 ' A' ' 103' ' ' LEU . 26.6 m-85 -91.69 110.98 22.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 111.049 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.872 ' CD1' HD12 ' A' ' 103' ' ' LEU . 22.5 m-30 -81.35 127.27 32.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.951 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.5 p -95.78 147.19 6.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.6 t -40.92 154.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -152.28 -45.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.377 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.78 68.54 1.47 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 112' ' ' ASP . 19.3 t70 -157.35 158.27 35.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.463 ' CD ' ' O ' ' A' ' 111' ' ' LYS . 0.0 OUTLIER -40.5 98.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 110' ' ' ASP . 6.5 m-20 -164.93 -44.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 112' ' ' ASP . 1.5 mt 68.51 62.22 0.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.18 173.03 6.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.09 101.05 8.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 158.83 114.57 0.39 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -174.96 2.12 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.507 1.793 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.4 p -134.45 -71.35 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.042 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.0 p -153.35 -65.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.97 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.568 1.168 . . . . 0.0 110.996 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.2 t 63.11 144.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 0.762 . . . . 0.0 109.972 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 t -175.06 147.32 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.028 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.32 -134.3 4.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.38 158.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 0.744 . . . . 0.0 110.018 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -114.35 -56.82 2.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.992 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.89 70.1 0.22 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -164.13 -53.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 109.313 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.97 120.67 9.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -159.94 117.42 2.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.33 179.15 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.441 ' HA ' HD23 ' A' ' 12' ' ' LEU . 9.3 mt -123.72 178.24 5.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.452 ' C ' HG21 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -163.11 151.0 13.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.494 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -38.75 -32.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 13' ' ' ASP . . . -84.31 -48.22 9.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -58.47 -54.54 36.88 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.533 1.145 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.026 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -62.45 -28.24 69.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.455 HG21 ' HB3' ' A' ' 82' ' ' ASN . 0.9 OUTLIER -66.73 -55.47 14.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.367 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.4 t -41.41 -46.17 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.988 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.045 HD13 HD11 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -62.07 -54.78 36.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.842 ' CD2' ' HB2' ' A' ' 52' ' ' ALA . 30.9 tp -48.6 -47.53 39.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.504 ' O ' HD21 ' A' ' 87' ' ' LEU . 6.1 p -39.98 -54.62 2.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.003 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.93 -38.29 81.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.763 ' HG3' HD12 ' A' ' 51' ' ' LEU . 7.7 mmtt -57.82 -39.59 77.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.569 HG23 ' CD1' ' A' ' 42' ' ' LEU . 4.1 mt -72.96 -52.02 24.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.505 ' HB2' ' HG ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -55.33 -35.77 65.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -71.74 -35.02 69.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.083 . . . . 0.0 110.301 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.595 ' CE2' ' HG3' ' A' ' 32' ' ' LYS . 69.9 t80 -62.38 -39.08 92.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.497 HD21 ' CE2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -58.38 -52.88 63.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -65.44 -11.82 46.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -90.89 -39.3 12.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.595 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 20.0 mmtp -90.02 -13.83 35.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 56.69 65.11 1.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.456 ' CE ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -125.82 157.28 37.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 110.955 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -116.51 10.62 14.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.3 p -166.85 145.95 5.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.977 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.752 ' CE1' HD11 ' A' ' 42' ' ' LEU . 30.0 p90 -178.1 163.81 1.75 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 111.048 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 1.009 ' CE2' HD23 ' A' ' 103' ' ' LEU . 48.5 m-85 -114.61 163.83 14.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -62.54 -26.63 68.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.452 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 10.4 pt20 -73.7 -43.77 58.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.34 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.452 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 4.6 mm-40 -56.08 -18.64 10.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.752 HD11 ' CE1' ' A' ' 37' ' ' PHE . 11.2 mt -103.15 -17.74 15.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.426 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 12.1 mm-40 -68.09 -8.54 38.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.7 p -105.12 -2.11 24.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.408 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.467 HG23 ' HA ' ' A' ' 42' ' ' LEU . 53.2 t -86.13 107.65 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -54.25 -63.51 1.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.5 OUTLIER -38.06 -31.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.994 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.515 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 14.1 mt -84.37 -60.52 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.559 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.0 mt-30 -46.39 -47.34 18.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.62 -23.15 1.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.942 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 1.045 HD11 HD13 ' A' ' 20' ' ' LEU . 1.3 tt -98.83 -55.09 2.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.107 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.842 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -64.4 -5.92 6.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.559 ' N ' ' O ' ' A' ' 49' ' ' GLN . 22.7 t -107.24 -20.32 13.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.079 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.501 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -42.08 157.42 0.22 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.243 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.675 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.02 169.87 21.67 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.799 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 1.0 HG11 HD23 ' A' ' 17' ' ' LEU . 0.8 OUTLIER 165.42 150.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.451 HG23 ' O ' ' A' ' 57' ' ' THR . 2.2 t -64.74 81.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.395 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -64.24 172.05 2.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.589 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.47 ' O ' ' C ' ' A' ' 60' ' ' THR . 14.3 t -164.18 -64.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.023 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 59' ' ' SER . 33.3 p 32.53 -142.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.384 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.74 76.74 1.34 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.82 112.81 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 62.85 123.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 66' ' ' GLU . 24.4 mt-30 -80.46 51.81 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.307 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.647 HG22 ' HB2' ' A' ' 67' ' ' LEU . 7.6 p -40.49 97.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 64' ' ' GLN . 1.0 OUTLIER -74.31 60.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.647 ' HB2' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -111.9 75.81 0.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.093 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 58.96 109.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -151.68 125.23 8.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.21 87.29 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.994 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.01 -110.05 1.17 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.3 t -68.33 173.62 4.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 110.375 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 t 73.22 -64.3 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.977 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.62 -26.39 2.59 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.57 HG13 ' N ' ' A' ' 76' ' ' ALA . 10.6 p -70.16 -54.65 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.57 ' N ' HG13 ' A' ' 75' ' ' VAL . . . -62.04 -26.47 68.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -58.88 -21.25 56.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' A' ' 75' ' ' VAL . 7.7 ptp180 -89.65 -33.36 16.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.253 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.528 HG23 ' HG2' ' A' ' 78' ' ' ARG . 3.7 t -81.75 -32.56 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.493 ' CE2' ' HB3' ' A' ' 52' ' ' ALA . 2.0 m-85 -69.36 -45.31 69.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -39.25 90.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.455 ' HB3' HG21 ' A' ' 18' ' ' THR . 73.6 m-20 -69.36 -45.38 69.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.94 -43.52 69.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.532 ' CD2' HG21 ' A' ' 25' ' ' ILE . 47.6 mt -62.52 -33.53 75.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.65 -55.73 30.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.564 HD22 ' H ' ' A' ' 86' ' ' LEU . 3.1 mm? -49.96 -43.64 50.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.504 HD21 ' O ' ' A' ' 22' ' ' SER . 5.4 mt -54.19 -51.34 64.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.446 ' HG2' HG23 ' A' ' 93' ' ' VAL . 9.4 mt-30 -57.32 -19.38 22.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -93.67 -29.08 15.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.632 ' HB2' HD23 ' A' ' 92' ' ' LEU . 1.3 mttm -83.34 -14.11 53.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.66 7.65 61.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.632 HD23 ' HB2' ' A' ' 90' ' ' LYS . 4.1 mm? -64.54 -56.07 16.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.248 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.446 HG23 ' HG2' ' A' ' 88' ' ' GLN . 2.8 m -124.18 -180.0 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.503 ' CE1' ' HB2' ' A' ' 105' ' ' TYR . 12.7 p90 -161.46 145.02 12.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -105.55 125.36 50.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.289 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -82.55 -50.91 8.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.53 111.4 24.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.11 134.9 17.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 150.94 133.51 2.07 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.469 1.106 . . . . 0.0 111.03 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 m -81.8 56.32 3.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 0.772 . . . . 0.0 109.977 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.9 t0 178.75 49.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -127.96 156.46 42.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 1.009 HD23 ' CE2' ' A' ' 38' ' ' TYR . 1.1 tm? -61.96 122.17 14.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.724 ' N ' HD13 ' A' ' 103' ' ' LEU . 81.1 m-85 -83.15 105.27 13.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.822 ' CD1' HD12 ' A' ' 103' ' ' LEU . 36.4 m-85 -84.72 135.58 34.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -80.59 164.9 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.468 HG23 ' OG1' ' A' ' 108' ' ' THR . 8.7 t -73.58 -44.56 56.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 110.405 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.468 ' OG1' HG23 ' A' ' 107' ' ' THR . 0.0 OUTLIER -165.51 148.87 8.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 110.416 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 108' ' ' THR . 0.1 OUTLIER 168.6 50.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.436 ' CG ' ' N ' ' A' ' 111' ' ' LYS . 1.5 t70 -72.11 167.48 20.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.436 ' N ' ' CG ' ' A' ' 110' ' ' ASP . 5.5 mmtm 68.84 156.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 59.57 65.99 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.9 tp 178.35 145.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 0.0 109.304 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.09 104.92 2.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -164.75 -62.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.483 1.115 . . . . 0.0 110.006 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 110.15 119.88 4.12 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 111.076 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -57.1 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.481 1.78 . . . . 0.0 110.982 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 81.1 p -167.44 168.75 12.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 110.034 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 25.7 p -65.32 111.2 2.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.054 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 t -178.9 143.11 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.4 p -174.28 141.43 0.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.962 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.04 116.84 0.19 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 110.958 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 p -174.62 167.25 3.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.767 . . . . 0.0 110.013 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.0 p 42.7 88.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.75 128.66 1.08 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.55 1.156 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -146.76 99.25 3.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 0.795 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -173.68 120.86 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -150.12 -65.32 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 67.77 170.71 0.27 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.429 ' HA ' HD23 ' A' ' 12' ' ' LEU . 9.1 mt -124.32 -178.78 4.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.524 ' C ' HG21 ' A' ' 56' ' ' VAL . 0.5 OUTLIER -164.93 153.45 12.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.542 ' CD2' HG22 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -37.43 -37.82 0.21 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.41 ' O ' ' HB ' ' A' ' 18' ' ' THR . . . -75.83 -50.75 14.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.234 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -57.19 -56.58 24.3 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.07 HD23 HG11 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -58.77 -29.87 67.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.701 HG21 ' HB3' ' A' ' 82' ' ' ASN . 1.0 OUTLIER -66.9 -56.14 11.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 18' ' ' THR . 29.0 t -38.67 -38.5 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 tp -70.41 -58.88 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.808 HD23 HG12 ' A' ' 79' ' ' VAL . 6.8 tp -41.15 -44.58 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.873 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 0.2 OUTLIER -44.77 -48.57 10.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.566 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . 4.8 mt-10 -67.55 -27.65 67.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.936 ' HG3' HD22 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -71.51 -40.29 70.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.769 HD11 ' CD1' ' A' ' 80' ' ' PHE . 3.2 mt -75.82 -44.51 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.566 ' CE ' ' HA ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -60.21 -39.75 87.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.529 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 4.6 mm-40 -67.41 -45.31 76.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.338 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.824 ' CE1' HG21 ' A' ' 45' ' ' VAL . 82.3 t80 -48.29 -34.68 10.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.956 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.803 HD21 ' CZ ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -61.62 -47.76 83.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -71.32 -13.13 61.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -90.07 -39.71 12.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.587 ' HG3' ' CZ ' ' A' ' 28' ' ' PHE . 51.6 mmtt -89.19 -13.53 38.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt 55.09 58.71 4.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.497 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -117.52 158.8 23.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -112.9 2.54 15.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.343 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.3 p -166.6 148.94 6.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.803 ' CZ ' HD21 ' A' ' 29' ' ' LEU . 14.3 p90 -177.83 -178.23 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.066 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.987 ' CZ ' HD23 ' A' ' 103' ' ' LEU . 90.6 m-85 -128.23 147.82 50.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.72 ' HA ' HD23 ' A' ' 42' ' ' LEU . 1.9 tm0? -53.18 -19.49 3.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -80.05 -14.19 58.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.418 ' C ' HD22 ' A' ' 42' ' ' LEU . 18.1 mm-40 -83.29 -10.38 58.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.276 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.885 HD22 ' N ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -106.25 -22.5 12.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.442 ' O ' ' CD ' ' A' ' 49' ' ' GLN . 2.4 mm-40 -64.86 -18.55 65.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.1 p -96.19 -10.4 28.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 110.389 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.824 HG21 ' CE1' ' A' ' 28' ' ' PHE . 76.9 t -80.47 95.25 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.44 -52.33 10.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 73.9 m -48.18 -24.2 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.995 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' ' 42' ' ' LEU . 61.0 mt -95.01 -57.08 2.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.496 ' O ' ' N ' ' A' ' 53' ' ' SER . 1.9 mt-30 -43.37 -42.81 4.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.71 -24.51 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.013 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.936 HD22 ' HG3' ' A' ' 24' ' ' LYS . 2.3 tp -98.28 -49.23 4.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.539 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -64.35 -7.08 8.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 49' ' ' GLN . 35.0 t -109.33 -20.68 12.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.967 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.7 OUTLIER -44.36 159.55 0.25 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.289 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.584 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.1 Cg_endo -75.06 167.92 25.94 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 1.07 HG11 HD23 ' A' ' 17' ' ' LEU . 1.4 p 165.51 151.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.1 t -100.15 145.51 27.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.402 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.434 ' CD2' ' HB2' ' A' ' 14' ' ' LEU . 7.9 p80 -170.62 -176.37 2.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.601 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.99 92.35 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.998 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.8 t -150.9 177.13 10.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.413 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -111.72 -148.12 10.88 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.525 1.14 . . . . 0.0 111.045 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.9 m -168.37 176.26 5.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 110.023 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.95 169.67 9.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -106.16 50.64 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.523 ' O ' HG12 ' A' ' 65' ' ' VAL . 71.1 t -120.45 55.81 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.88 113.97 12.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.257 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.514 ' H ' HD23 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -108.49 52.55 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -149.87 171.63 16.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.19 167.2 10.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.1 m -129.02 160.53 32.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.962 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 134.48 105.53 0.86 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.3 p 40.9 60.17 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 0.732 . . . . 0.0 110.42 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.23 -47.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 110.011 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.514 ' O ' ' CZ ' ' A' ' 78' ' ' ARG . . . -57.11 -31.18 61.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.52 1.137 . . . . 0.0 111.041 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.575 HG13 ' N ' ' A' ' 76' ' ' ALA . 13.2 p -63.91 -56.25 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.575 ' N ' HG13 ' A' ' 75' ' ' VAL . . . -50.54 -31.86 16.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -64.41 -22.83 67.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.514 ' CZ ' ' O ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -86.32 -30.81 21.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.808 HG12 HD23 ' A' ' 21' ' ' LEU . 25.5 t -80.53 -41.72 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.769 ' CD1' HD11 ' A' ' 25' ' ' ILE . 2.1 m-85 -66.02 -59.55 3.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.77 -35.8 23.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.701 ' HB3' HG21 ' A' ' 18' ' ' THR . 78.4 m-20 -67.56 -45.81 74.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.873 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -47.83 -56.38 7.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.559 ' HG ' ' CD2' ' A' ' 104' ' ' TYR . 3.0 mm? -50.55 -49.76 55.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -46.94 -57.58 4.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.349 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.525 HD11 HG22 ' A' ' 18' ' ' THR . 1.0 OUTLIER -56.97 -47.57 80.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.597 HD13 ' HB2' ' A' ' 22' ' ' SER . 0.0 OUTLIER -46.74 -49.77 19.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -57.83 -39.45 77.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -64.98 -32.28 73.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.435 ' NZ ' ' HB3' ' A' ' 86' ' ' LEU . 5.2 mttp -83.83 -27.34 28.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.17 11.74 33.24 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.466 1.104 . . . . 0.0 110.965 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 87' ' ' LEU . 4.1 mt -68.22 -41.84 80.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.789 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 105' ' ' TYR . 2.9 m -135.83 178.12 5.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 18.9 p90 -161.58 148.47 14.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -108.6 139.43 43.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.564 ' HG3' ' CE2' ' A' ' 105' ' ' TYR . 19.7 mtm180 -109.58 38.99 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.68 108.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.41 107.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.056 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -167.41 170.58 41.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.463 1.102 . . . . 0.0 111.045 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.34 -19.34 20.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.756 . . . . 0.0 110.035 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.3 89.64 2.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.0 mmtm -136.69 178.35 7.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.987 HD23 ' CZ ' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -80.37 122.72 27.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.752 ' N ' HD13 ' A' ' 103' ' ' LEU . 30.4 m-85 -89.99 91.1 8.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.654 ' CD1' HD12 ' A' ' 103' ' ' LEU . 63.4 m-85 -70.87 116.97 11.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.415 ' H ' HG12 ' A' ' 106' ' ' VAL . 1.2 p -75.73 156.14 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 92' ' ' LEU . 2.2 t -52.39 147.55 7.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.399 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.4 t -117.32 167.11 11.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.4 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 110' ' ' ASP . 0.0 OUTLIER -39.58 138.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 109' ' ' LYS . 1.3 t70 81.5 92.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.84 -171.94 3.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -157.31 162.96 39.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.3 mp -50.53 104.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.246 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -178.75 122.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 96.4 p 179.78 171.39 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.017 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -159.55 176.15 36.34 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 139.78 24.68 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.442 1.759 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 61.2 p 178.44 -57.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.65 57.73 1.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.957 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 t -161.07 145.75 13.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 110.008 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 t -179.4 148.91 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.08 176.56 15.54 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.3 p -48.59 176.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 0.74 . . . . 0.0 110.011 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.6 p -123.53 66.41 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.001 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.22 -166.24 0.29 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -177.39 135.32 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.2 ttmt 62.11 137.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -136.14 -46.05 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 59.25 156.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.353 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 12' ' ' LEU . 3.2 mt -116.93 178.97 4.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.743 ' OD2' ' HB3' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -179.48 155.82 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.824 HD11 ' ND2' ' A' ' 82' ' ' ASN . 6.0 tp -36.08 -33.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.743 ' HB3' ' OD2' ' A' ' 13' ' ' ASP . . . -78.7 -55.33 5.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -60.17 -43.86 97.97 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.91 HD12 HG11 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -60.65 -27.89 68.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 0.783 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.637 HG23 ' HA ' ' A' ' 83' ' ' ALA . 1.3 m -76.91 -55.5 5.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.362 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.4 t -43.39 -39.98 3.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.968 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.895 ' HG ' HD11 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -71.26 -65.43 0.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.963 ' CD1' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -41.34 -52.7 3.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 1.072 ' O ' HD21 ' A' ' 87' ' ' LEU . 45.4 p -37.97 -34.99 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 110.032 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 20' ' ' LEU . 5.7 mm-40 -80.55 -43.25 20.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.978 ' HG3' HD12 ' A' ' 51' ' ' LEU . 1.7 mmpt? -58.65 -51.21 70.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.963 HD11 ' CD1' ' A' ' 21' ' ' LEU . 5.2 mt -57.16 -51.06 74.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.466 ' HD2' ' CD2' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -56.98 -40.32 76.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -60.73 -41.45 95.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.311 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.734 ' CE2' HG21 ' A' ' 45' ' ' VAL . 23.5 t80 -53.71 -47.84 70.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.546 ' O ' ' N ' ' A' ' 33' ' ' LYS . 8.1 mt -51.67 -47.16 63.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -65.19 -19.09 65.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -88.38 -48.69 7.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.587 ' HG3' ' CZ ' ' A' ' 28' ' ' PHE . 3.5 mmmt -81.39 -15.31 55.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' A' ' 29' ' ' LEU . 23.0 mmtt 49.34 65.12 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.53 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -112.54 174.72 5.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.953 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -123.26 -2.6 8.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.456 ' HB2' HD11 ' A' ' 103' ' ' LEU . 0.2 OUTLIER -166.26 155.53 11.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.036 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.865 ' CE1' HD11 ' A' ' 42' ' ' LEU . 34.6 p90 -175.73 169.61 2.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.964 ' CE2' HD23 ' A' ' 103' ' ' LEU . 39.8 m-85 -117.38 160.24 21.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -60.66 -30.32 69.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.344 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.414 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 11.1 pt20 -74.61 -41.48 60.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.414 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 9.2 mm-40 -58.9 -14.9 10.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.257 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.897 HD13 HG23 ' A' ' 25' ' ' ILE . 9.2 mt -99.35 -23.57 15.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.46 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 23.7 mt-10 -63.31 -15.95 58.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.7 p -100.79 -2.41 32.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.734 HG21 ' CE2' ' A' ' 28' ' ' PHE . 92.2 t -87.69 91.46 3.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.08 -52.0 12.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.6 m -43.82 -27.56 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.989 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.439 ' HG ' ' CG1' ' A' ' 45' ' ' VAL . 24.5 mt -94.4 -59.76 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.633 ' O ' ' N ' ' A' ' 53' ' ' SER . 13.1 mm-40 -44.42 -48.38 9.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.06 -22.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.978 HD12 ' HG3' ' A' ' 24' ' ' LYS . 0.8 OUTLIER -98.58 -66.32 0.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.744 ' HB2' ' CD1' ' A' ' 21' ' ' LEU . . . -54.28 -38.38 65.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.633 ' N ' ' O ' ' A' ' 49' ' ' GLN . 8.5 t -61.38 -24.07 66.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.029 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.563 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 44.2 mtt180 -45.97 153.69 0.64 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.654 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.97 171.23 18.72 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.52 1.8 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.91 HG11 HD12 ' A' ' 17' ' ' LEU . 0.9 OUTLIER 166.38 152.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 56' ' ' VAL . 82.0 p -36.26 110.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.44 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.971 ' CE1' HG13 ' A' ' 75' ' ' VAL . 1.3 m-70 -146.98 -174.87 4.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.633 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.7 t -174.34 149.0 1.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.969 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 53.3 m -66.34 139.8 58.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.2 143.73 2.22 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.59 -60.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 0.0 110.009 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.49 137.94 54.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -65.14 82.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.9 p -160.08 136.31 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.408 ' O ' ' CG ' ' A' ' 66' ' ' GLU . 4.7 pt-20 -128.0 96.54 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.4 173.28 7.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -44.77 156.09 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 57.93 167.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.31 171.61 16.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.027 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.72 -123.63 6.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.418 1.074 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.567 ' O ' HG23 ' A' ' 72' ' ' THR . 10.2 t -78.04 55.89 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.744 . . . . 0.0 110.361 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.5 m -140.82 65.01 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . -167.4 -40.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.105 . . . . 0.0 111.024 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.971 HG13 ' CE1' ' A' ' 58' ' ' HIS . 59.6 t -48.45 -66.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -47.42 -49.76 24.34 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.43 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 1.9 mp0 -47.01 -27.52 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.343 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.533 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 44.4 mtt85 -87.27 -43.82 11.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.584 HG11 HD22 ' A' ' 17' ' ' LEU . 12.4 t -66.46 -32.29 57.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.441 ' CE2' ' HA ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -74.12 -46.64 41.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 110.949 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.467 ' CD ' ' HA ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -66.95 -38.85 86.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.824 ' ND2' HD11 ' A' ' 14' ' ' LEU . 90.1 m-20 -71.66 -47.23 55.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.637 ' HA ' HG23 ' A' ' 18' ' ' THR . . . -52.17 -42.67 63.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.435 ' CD2' HG21 ' A' ' 25' ' ' ILE . 34.7 mt -61.01 -35.51 77.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.78 -55.14 38.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -46.18 -38.9 8.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.072 HD21 ' O ' ' A' ' 22' ' ' SER . 61.9 mt -66.89 -43.16 84.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.472 ' HG2' HG23 ' A' ' 93' ' ' VAL . 10.3 mt-30 -66.78 -15.58 63.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -92.33 -26.49 18.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.493 ' HB2' HD12 ' A' ' 92' ' ' LEU . 1.2 mttm -87.06 -29.75 21.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 107.39 10.58 27.16 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.721 HD13 HD22 ' A' ' 87' ' ' LEU . 2.4 mt -70.89 -45.5 64.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.472 HG23 ' HG2' ' A' ' 88' ' ' GLN . 2.8 m -128.23 172.96 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.59 ' CE2' ' CB ' ' A' ' 105' ' ' TYR . 8.2 p90 -162.18 143.67 10.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -111.1 118.17 35.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.2 mmp_? -87.16 51.4 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 166.57 100.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 m -55.39 102.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.969 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -179.07 134.09 2.23 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.6 m -81.23 52.89 1.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 110.049 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -177.28 37.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -117.53 179.33 4.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.975 HD12 ' CE1' ' A' ' 105' ' ' TYR . 1.7 tm? -86.03 132.62 34.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.84 ' N ' HD13 ' A' ' 103' ' ' LEU . 64.4 m-85 -93.53 117.72 30.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.975 ' CE1' HD12 ' A' ' 103' ' ' LEU . 23.0 m-30 -92.29 135.56 33.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.511 ' HB ' HD13 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -100.56 149.07 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 4.7 t -50.46 142.35 10.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.389 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.6 t -122.91 -178.23 3.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 110.388 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -72.4 93.56 1.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.86 174.8 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.12 110.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -167.12 152.91 7.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.6 tp -47.86 -72.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -167.72 79.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.255 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.1 t -110.1 158.45 18.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.014 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 170.64 97.72 0.11 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 0.0 110.96 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.63 42.72 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.4 p -111.41 119.38 38.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.002 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.7 t -174.92 116.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.031 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.554 1.159 . . . . 0.0 110.968 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.43 168.08 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 109.973 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -146.28 142.9 28.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.082 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.63 165.77 25.58 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.24 156.91 25.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 0.0 109.975 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.95 160.24 0.52 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.82 68.49 0.4 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.525 1.141 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -164.99 -174.14 3.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 0.799 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.63 65.54 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 45.97 86.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.365 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.75 175.94 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 12' ' ' LEU . 9.6 mt -132.37 178.26 6.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -167.69 152.24 6.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.858 HD21 HG22 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -38.38 -31.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.446 ' N ' ' C ' ' A' ' 13' ' ' ASP . . . -82.92 -49.54 9.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -60.5 -54.21 39.07 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.011 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -58.74 -35.32 72.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.769 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.2 m -64.85 -54.52 29.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.407 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 18' ' ' THR . 10.5 t -38.17 -35.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.989 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.697 ' HG ' HD11 ' A' ' 51' ' ' LEU . 2.2 tp -74.7 -58.77 3.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.886 ' HA ' HD13 ' A' ' 51' ' ' LEU . 46.2 tp -40.31 -49.71 2.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.167 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.611 ' OG ' HD13 ' A' ' 86' ' ' LEU . 0.9 OUTLIER -43.12 -55.19 4.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.45 -33.39 72.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.878 ' HG3' HD12 ' A' ' 51' ' ' LEU . 4.2 mmtt -63.88 -38.61 91.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.613 HG21 HD21 ' A' ' 84' ' ' LEU . 3.6 mt -73.41 -45.89 50.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.492 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -58.47 -37.98 76.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.492 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 3.4 mm-40 -68.48 -42.92 77.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.592 ' CZ ' ' HG3' ' A' ' 32' ' ' LYS . 73.6 t80 -50.11 -50.65 47.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 111.045 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.687 HD21 ' CE1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -47.04 -45.54 21.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -67.14 -26.0 66.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.33 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 28' ' ' PHE . 2.9 tp10 -77.27 -44.32 30.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.592 ' HG3' ' CZ ' ' A' ' 28' ' ' PHE . 3.1 mmmt -83.17 -20.9 33.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.9 OUTLIER 61.14 62.59 1.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.568 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -120.51 174.79 6.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -125.35 1.95 7.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.3 p -166.84 151.11 7.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.004 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.687 ' CE1' HD21 ' A' ' 29' ' ' LEU . 37.0 p90 -177.04 162.13 1.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 1.088 ' CE1' HD12 ' A' ' 103' ' ' LEU . 63.5 m-85 -112.61 152.95 28.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -53.38 -39.29 64.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -60.83 -35.64 77.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -67.35 -14.98 63.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.673 HD11 ' CE2' ' A' ' 37' ' ' PHE . 12.3 mt -105.77 -20.8 13.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.432 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 27.4 mt-10 -61.78 -13.2 21.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.7 p -101.41 -3.18 29.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.417 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.515 HG23 ' HA ' ' A' ' 42' ' ' LEU . 59.4 t -85.85 109.04 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -56.05 -58.96 5.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.8 m -38.83 -35.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.612 HD12 ' HB3' ' A' ' 42' ' ' LEU . 17.5 mt -83.04 -59.56 2.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.567 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.2 mm-40 -46.36 -48.1 18.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.47 -23.81 2.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.886 HD13 ' HA ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -98.06 -55.42 2.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.836 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -63.74 -7.58 8.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.567 ' N ' ' O ' ' A' ' 49' ' ' GLN . 21.9 t -108.22 -19.79 13.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -41.95 158.34 0.2 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.652 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.3 Cg_endo -75.09 169.4 22.65 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.536 1.808 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 1.004 HG11 HD23 ' A' ' 17' ' ' LEU . 0.8 OUTLIER 166.65 149.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.5 t -93.18 125.25 37.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 110.393 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -167.4 -51.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.584 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.3 m 59.3 115.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 110.015 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.0 p -51.79 173.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.378 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -111.17 -69.59 0.58 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 64' ' ' GLN . 6.9 m -158.03 -49.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 109.979 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.564 ' HB3' HG12 ' A' ' 65' ' ' VAL . 0.6 OUTLIER 65.31 -74.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.499 ' CB ' ' O ' ' A' ' 63' ' ' ASP . 2.9 tt0 85.56 53.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.564 HG12 ' HB3' ' A' ' 63' ' ' ASP . 2.7 p -139.36 124.89 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.45 ' O ' ' CG ' ' A' ' 66' ' ' GLU . 4.3 pt-20 -93.71 71.95 4.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.09 147.25 26.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm -52.84 107.75 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.1 p30 -173.35 179.46 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.47 172.06 12.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.32 -28.69 73.16 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.1 p -124.58 69.18 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 110.367 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 166.48 -30.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.424 1.078 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . -65.53 -33.72 87.11 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 78' ' ' ARG . 60.7 t -46.62 -50.25 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.775 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 52' ' ' ALA . . . -48.08 -44.35 31.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 7.2 mt-30 -61.88 -19.98 63.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.497 ' HG2' HD11 ' A' ' 14' ' ' LEU . 6.4 ttt180 -92.65 -16.28 25.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.858 HG22 HD21 ' A' ' 14' ' ' LEU . 25.3 t -94.75 -31.2 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -68.59 -45.57 71.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 82' ' ' ASN . 0.1 OUTLIER -64.96 -37.59 88.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.714 ' HB3' HG21 ' A' ' 18' ' ' THR . 40.2 m-20 -71.0 -37.55 72.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.54 -54.45 32.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.893 HD13 ' CD2' ' A' ' 104' ' ' TYR . 38.6 mt -55.4 -45.89 76.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.59 -59.18 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.631 HD12 ' O ' ' A' ' 82' ' ' ASN . 1.2 mp -48.66 -52.1 25.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.709 HD12 HD23 ' A' ' 84' ' ' LEU . 40.0 mt -44.54 -43.04 7.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -64.19 -31.62 72.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.262 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 86' ' ' LEU . 0.8 OUTLIER -76.49 -45.71 29.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.468 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 0.4 OUTLIER -67.53 -27.35 66.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.1 23.44 13.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.603 HD13 HD22 ' A' ' 87' ' ' LEU . 3.8 mt -83.63 -28.39 28.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.746 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.493 HG13 ' HB3' ' A' ' 87' ' ' LEU . 1.7 m -144.61 175.31 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 105' ' ' TYR . 17.5 p90 -161.78 147.69 13.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.639 ' NE2' ' CD1' ' A' ' 104' ' ' TYR . 0.9 OUTLIER -94.76 152.55 18.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -126.65 45.3 2.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.526 ' HB2' ' CE ' ' A' ' 102' ' ' LYS . 7.2 t0 -156.77 -68.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.0 t -179.42 32.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.455 ' HA2' ' OE1' ' A' ' 95' ' ' GLN . . . 52.77 -169.06 0.78 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 99' ' ' GLY . 0.3 OUTLIER 57.1 110.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.767 . . . . 0.0 110.022 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.3 t0 46.38 64.67 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.256 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.526 ' CE ' ' HB2' ' A' ' 97' ' ' ASP . 13.9 mmmt -124.68 -178.28 4.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 1.088 HD12 ' CE1' ' A' ' 38' ' ' TYR . 5.7 tt -62.47 -74.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.947 ' HB2' ' O ' ' A' ' 103' ' ' LEU . 29.5 m-85 103.2 73.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.753 ' CD1' HD22 ' A' ' 103' ' ' LEU . 92.7 m-85 -73.7 116.66 14.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.454 HG12 ' H ' ' A' ' 106' ' ' VAL . 1.4 p -64.97 151.7 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 92' ' ' LEU . 2.9 t -55.08 163.01 1.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.427 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.0 t -42.56 150.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 110.408 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.97 92.07 3.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -44.99 102.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -102.27 158.69 16.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 113' ' ' LEU . 8.4 m-20 -153.63 154.69 34.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 112' ' ' ASP . 33.1 tp -40.36 107.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -168.08 77.8 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 78.1 p 52.17 95.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 85.78 88.33 0.95 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -56.19 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.525 1.803 . . . . 0.0 111.038 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.81 170.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.973 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.7 t -175.68 88.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.007 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.36 147.71 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 0.736 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.95 -61.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.968 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.02 144.82 15.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 111.037 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 178.58 150.2 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 0.778 . . . . 0.0 109.984 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -168.46 143.09 3.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.15 147.75 7.28 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -77.0 -66.93 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 0.735 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.21 130.22 34.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -176.97 93.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.416 ' O ' ' O ' ' A' ' 12' ' ' LEU . 20.2 m120 -47.93 122.95 5.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.649 HD12 ' H ' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -61.12 -143.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.649 ' H ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER 179.76 140.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.08 HD21 HG22 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -37.88 -46.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.353 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.65 -45.95 70.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.599 ' HA3' ' CD1' ' A' ' 12' ' ' LEU . . . -60.27 -51.99 55.46 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.15 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.002 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -68.08 -28.06 67.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 0.787 . . . . 0.0 109.326 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.524 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 1.1 m -63.27 -56.19 18.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 110.423 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 18' ' ' THR . 21.0 t -38.3 -50.27 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.025 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.706 ' HG ' HD11 ' A' ' 51' ' ' LEU . 1.6 tp -57.17 -58.14 9.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.841 ' CD2' ' HB2' ' A' ' 52' ' ' ALA . 22.1 tp -43.44 -46.63 6.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.566 ' O ' HD21 ' A' ' 87' ' ' LEU . 3.3 p -43.98 -49.73 8.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.015 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 1.7 mm-40 -65.36 -32.39 74.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.786 ' HG3' HD12 ' A' ' 51' ' ' LEU . 3.7 mmtt -64.49 -43.36 94.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.746 HG21 HD21 ' A' ' 84' ' ' LEU . 4.8 mt -71.06 -45.69 70.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.477 ' HD2' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -59.5 -38.57 81.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 1.2 mm-40 -66.05 -41.34 90.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.716 ' CE1' HG21 ' A' ' 45' ' ' VAL . 81.6 t80 -55.45 -34.6 64.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.754 HD21 ' CZ ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -62.41 -51.05 69.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -65.8 -17.89 64.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -80.32 -49.61 11.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.604 ' HB2' ' SD ' ' A' ' 34' ' ' MET . 61.0 mmtt -83.55 -23.63 31.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' LEU . 4.5 mttt 60.12 66.49 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.626 ' SD ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -112.3 176.2 5.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -122.52 -6.6 8.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.317 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.421 ' HB2' HD11 ' A' ' 103' ' ' LEU . 6.2 p -168.56 146.51 4.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.754 ' CZ ' HD21 ' A' ' 29' ' ' LEU . 53.5 p90 -171.26 -177.18 2.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 1.028 ' CZ ' HD23 ' A' ' 103' ' ' LEU . 98.4 m-85 -125.41 150.13 47.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.415 1.072 . . . . 0.0 111.048 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.704 ' HA ' HD23 ' A' ' 42' ' ' LEU . 41.3 tt0 -53.94 -19.02 3.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.461 ' O ' HG23 ' A' ' 44' ' ' THR . 5.4 pt20 -79.09 -14.73 58.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.401 ' C ' HD22 ' A' ' 42' ' ' LEU . 18.0 mm-40 -82.92 -12.22 57.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 110.251 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.858 HD22 ' N ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -106.56 -21.98 12.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.432 ' O ' ' CD ' ' A' ' 49' ' ' GLN . 1.7 mm-40 -66.88 -21.25 66.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 40' ' ' GLN . 44.5 p -85.42 -18.27 34.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.423 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.864 ' HB ' HD12 ' A' ' 48' ' ' LEU . 23.7 t -74.9 116.12 17.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 48' ' ' LEU . 1.0 OUTLIER -57.81 -64.56 0.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 46' ' ' GLU . 5.5 m -38.78 -29.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.864 HD12 ' HB ' ' A' ' 45' ' ' VAL . 92.9 mt -81.52 -60.09 2.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.552 ' O ' ' N ' ' A' ' 53' ' ' SER . 1.9 mt-30 -47.13 -45.57 22.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.05 -20.96 2.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.796 HD13 ' HA ' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -98.45 -54.65 2.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.841 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -67.02 -4.81 10.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.552 ' N ' ' O ' ' A' ' 49' ' ' GLN . 22.9 t -108.16 -14.65 14.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 2.7 mtt180 -47.03 155.75 0.61 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.662 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -74.99 168.69 24.28 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.925 HG11 HD23 ' A' ' 17' ' ' LEU . 1.3 p 162.63 151.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 t -85.6 135.49 33.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.373 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -176.73 -174.09 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.648 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 m -132.71 118.76 19.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.8 m -120.62 111.8 18.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -109.37 94.07 0.8 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.1 m -159.78 175.73 12.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 0.746 . . . . 0.0 109.983 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -176.39 -40.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 66' ' ' GLU . 19.4 mt-30 38.9 46.43 1.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.485 ' O ' HG13 ' A' ' 65' ' ' VAL . 7.6 p -38.56 98.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 64' ' ' GLN . 3.9 mt-10 -164.24 73.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 60.93 177.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.5 mmtm 65.76 155.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -69.15 -66.09 0.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.9 t 68.86 110.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -161.12 -105.38 0.2 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.7 t -76.53 -28.16 56.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 110.412 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.81 -33.97 75.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.957 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.514 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . -71.21 -45.26 50.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.457 ' HA ' ' CD ' ' A' ' 78' ' ' ARG . 61.4 t -44.67 -40.52 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.535 0.785 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.48 -42.41 98.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.514 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 8.2 mt-30 -53.22 -21.85 5.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.457 ' CD ' ' HA ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -86.25 -32.48 21.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.325 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 1.08 HG22 HD21 ' A' ' 14' ' ' LEU . 4.8 t -77.46 -37.77 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.501 ' CE2' ' HB3' ' A' ' 52' ' ' ALA . 5.5 m-85 -69.33 -48.39 61.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.42 -37.42 85.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.67 ' O ' HD12 ' A' ' 86' ' ' LEU . 98.1 m-20 -77.14 -26.34 53.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.492 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -71.03 -54.49 11.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.889 HD23 HD12 ' A' ' 87' ' ' LEU . 21.7 mt -55.98 -46.38 78.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.53 -57.49 1.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.67 HD12 ' O ' ' A' ' 82' ' ' ASN . 1.0 OUTLIER -52.8 -47.96 67.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.889 HD12 HD23 ' A' ' 84' ' ' LEU . 56.3 mt -48.63 -42.87 35.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.79 ' OE1' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -66.07 -26.23 67.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 86' ' ' LEU . 1.9 mm-40 -79.58 -26.21 41.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.245 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.4 -28.68 20.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 101.38 24.02 9.16 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.502 1.126 . . . . 0.0 111.052 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.488 HD13 HD22 ' A' ' 87' ' ' LEU . 4.9 mt -83.91 -41.76 17.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.79 HG23 ' OE1' ' A' ' 88' ' ' GLN . 1.0 OUTLIER -137.35 172.97 13.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.654 ' CE1' ' CB ' ' A' ' 105' ' ' TYR . 26.7 p90 -163.88 152.65 13.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.407 ' OE1' ' CE1' ' A' ' 104' ' ' TYR . 9.2 mt-30 -105.97 119.65 39.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.556 ' HG3' ' CE1' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -74.78 -51.82 13.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -89.79 127.5 35.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.66 148.16 20.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.988 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.454 ' CA ' ' HG3' ' A' ' 102' ' ' LYS . . . 126.43 151.96 7.97 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.3 t -68.09 -65.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 0.735 . . . . 0.0 109.993 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -76.58 61.71 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.454 ' HG3' ' CA ' ' A' ' 99' ' ' GLY . 17.9 mmtt -113.77 -179.23 3.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 1.028 HD23 ' CZ ' ' A' ' 38' ' ' TYR . 1.3 tm? -74.02 134.94 43.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.897 ' N ' HD13 ' A' ' 103' ' ' LEU . 63.9 m-85 -109.54 92.11 3.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 1.014 ' CD1' HD12 ' A' ' 103' ' ' LEU . 38.5 m-85 -71.08 142.05 50.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 111.008 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -101.55 155.81 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.756 ' O ' HG22 ' A' ' 108' ' ' THR . 11.8 t -75.23 151.8 38.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.756 HG22 ' O ' ' A' ' 107' ' ' THR . 14.5 t 51.03 175.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.406 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.41 -36.82 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.1 t0 44.46 80.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -162.94 -163.36 0.86 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 114' ' ' GLN . 3.4 m-20 -138.7 137.6 36.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 63.69 -79.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 112' ' ' ASP . 4.3 tm0? 71.28 117.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.16 . . . . 0.0 110.257 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.6 t -62.34 -179.81 0.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -102.08 119.29 6.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -175.72 2.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.521 1.8 . . . . 0.0 111.027 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.9 109.58 4.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.05 144.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.004 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -100.19 -58.67 1.86 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 0.746 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.7 p -172.81 85.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.021 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 41.31 -148.07 0.33 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.44 1.087 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.56 -58.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.742 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.99 154.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.031 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.46 155.53 8.33 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.461 1.101 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -105.84 94.38 5.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 0.747 . . . . 0.0 109.282 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 tttp -175.75 82.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -167.74 136.21 2.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -58.13 -174.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 12' ' ' LEU . 7.7 mt -129.17 179.83 5.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.439 ' C ' HG21 ' A' ' 56' ' ' VAL . 17.5 t70 -171.09 159.39 5.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.022 HD12 ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -40.05 -43.38 1.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.2 -49.55 23.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.6 -58.54 11.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.135 . . . . 0.0 111.025 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.021 HD23 HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -60.26 -33.74 72.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 0.77 . . . . 0.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.991 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.2 m -63.73 -51.13 66.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.372 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 18' ' ' THR . 30.9 t -36.96 -37.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.026 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.737 ' HG ' HD11 ' A' ' 51' ' ' LEU . 3.1 tp -73.9 -55.47 6.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.858 HD23 HG12 ' A' ' 79' ' ' VAL . 7.2 tp -40.32 -49.02 2.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.701 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 1.3 p -37.72 -61.89 0.59 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.015 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.497 ' HB3' ' HZ3' ' A' ' 26' ' ' LYS . 4.7 mt-10 -55.89 -42.4 75.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 110.34 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.772 ' HG3' HD12 ' A' ' 51' ' ' LEU . 36.7 mmtt -53.39 -41.49 65.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.602 HG23 ' CD1' ' A' ' 42' ' ' LEU . 3.4 mt -73.05 -57.02 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.497 ' HZ3' ' HB3' ' A' ' 23' ' ' GLU . 0.6 OUTLIER -50.83 -36.14 35.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 23' ' ' GLU . 3.2 mm-40 -70.31 -39.89 74.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.435 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 53.4 t80 -57.42 -25.92 60.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.862 HD13 HG13 ' A' ' 106' ' ' VAL . 8.5 mt -75.34 -47.81 25.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -64.74 -11.19 33.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -94.22 -48.39 6.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.354 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.438 ' HB2' ' CG ' ' A' ' 34' ' ' MET . 62.3 mmtt -81.95 -13.36 57.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' LEU . 14.0 mmtt 52.5 62.67 2.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.438 ' CG ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -114.71 171.67 7.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 110.988 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -131.45 9.87 4.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.7 p -167.4 143.2 4.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.985 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.708 ' CE1' HD11 ' A' ' 42' ' ' LEU . 14.1 p90 -177.63 161.79 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 1.045 ' CE2' HD23 ' A' ' 103' ' ' LEU . 58.5 m-85 -111.46 157.71 19.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.505 ' OE1' ' CB ' ' A' ' 81' ' ' LYS . 28.6 tt0 -61.0 -29.22 69.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.612 ' O ' HG23 ' A' ' 44' ' ' THR . 5.5 pt20 -70.76 -31.89 68.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.3 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 45' ' ' VAL . 4.6 mm-40 -68.34 -17.81 64.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.708 HD11 ' CE1' ' A' ' 37' ' ' PHE . 10.4 mt -101.87 -20.82 14.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.48 ' OE2' ' CD2' ' A' ' 80' ' ' PHE . 5.3 mm-40 -67.59 -24.35 65.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 40' ' ' GLN . 7.6 p -96.62 6.93 47.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.432 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.664 HG11 ' CD2' ' A' ' 48' ' ' LEU . 85.8 t -92.48 127.96 44.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 47' ' ' SER . 13.6 mm-40 -62.84 -63.0 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -35.05 -52.88 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.664 ' CD2' HG11 ' A' ' 45' ' ' VAL . 1.6 mm? -64.7 -66.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.58 ' O ' ' N ' ' A' ' 53' ' ' SER . 3.3 mm-40 -39.77 -53.02 2.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 110.35 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.96 -27.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.772 HD12 ' HG3' ' A' ' 24' ' ' LYS . 2.1 tt -98.91 -60.53 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.842 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -54.23 -14.38 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.58 ' N ' ' O ' ' A' ' 49' ' ' GLN . 24.4 p -91.39 -17.6 25.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.04 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.515 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.5 OUTLIER -47.23 152.46 1.07 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.671 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.03 168.46 24.78 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 1.021 HG11 HD23 ' A' ' 17' ' ' LEU . 0.8 OUTLIER 165.73 150.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 109.279 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -41.94 117.21 0.92 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' A' ' 56' ' ' VAL . 0.1 OUTLIER 179.17 176.88 0.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.605 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.23 139.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.4 m 62.42 128.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.406 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -144.0 175.52 23.81 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.459 1.099 . . . . 0.0 111.045 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.9 m -144.95 144.8 31.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 0.785 . . . . 0.0 109.996 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.466 ' HB3' HG12 ' A' ' 65' ' ' VAL . 4.4 m-20 -93.58 -60.07 1.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 69.25 55.47 0.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.466 HG12 ' HB3' ' A' ' 63' ' ' ASP . 10.1 p -142.54 123.36 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -75.7 57.23 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.433 ' HB2' HG22 ' A' ' 65' ' ' VAL . 1.2 mt -141.81 168.76 18.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.35 110.88 10.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -179.59 152.94 0.53 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 96.3 p -165.97 171.12 12.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.43 -170.3 53.7 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.1 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -49.88 133.8 21.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 0.793 . . . . 0.0 110.447 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 171.22 -36.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 110.053 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.521 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . -65.75 -52.68 36.35 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.545 HG13 ' N ' ' A' ' 76' ' ' ALA . 9.1 p -38.52 -55.12 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 109.314 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.545 ' N ' HG13 ' A' ' 75' ' ' VAL . . . -53.8 -45.19 70.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.521 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 7.2 mt-30 -52.45 -26.31 12.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.477 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -82.82 -31.31 28.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.277 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.991 HG13 ' OG1' ' A' ' 18' ' ' THR . 16.0 t -82.42 -36.93 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.612 ' CE1' ' HB3' ' A' ' 48' ' ' LEU . 6.3 m-85 -66.01 -50.2 65.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.505 ' CB ' ' OE1' ' A' ' 39' ' ' GLN . 0.1 OUTLIER -63.68 -42.84 97.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.836 ' HB3' HG21 ' A' ' 18' ' ' THR . 62.4 m-20 -62.21 -46.74 87.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.701 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -52.82 -43.98 66.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.496 ' CD1' ' HB2' ' A' ' 39' ' ' GLN . 25.5 mt -59.67 -38.48 81.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.72 -57.29 12.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 110.268 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.425 HD11 HG22 ' A' ' 18' ' ' THR . 1.0 OUTLIER -55.04 -42.33 72.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.493 HD21 ' C ' ' A' ' 22' ' ' SER . 6.0 mt -51.52 -48.47 62.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.435 ' HG2' HG23 ' A' ' 93' ' ' VAL . 5.2 mt-30 -59.17 -27.12 65.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -82.91 -27.31 30.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.888 ' HB2' HD23 ' A' ' 92' ' ' LEU . 5.3 mttm -87.64 -3.38 58.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.23 13.13 81.34 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.888 HD23 ' HB2' ' A' ' 90' ' ' LYS . 4.3 mm? -67.56 -54.46 19.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 0.79 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.491 HG12 ' HA ' ' A' ' 106' ' ' VAL . 5.3 m -128.72 180.0 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 105' ' ' TYR . 10.7 p90 -162.36 142.94 10.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.147 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.403 ' NE2' ' O ' ' A' ' 99' ' ' GLY . 81.3 mt-30 -101.2 136.7 40.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -96.3 -62.12 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.462 ' CB ' ' HE3' ' A' ' 102' ' ' LYS . 33.4 m-20 -73.73 -18.56 60.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.3 m 61.97 135.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.403 ' O ' ' NE2' ' A' ' 95' ' ' GLN . . . 148.36 152.77 5.78 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.461 1.1 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.4 m -87.92 46.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 110.032 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -178.44 42.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.462 ' HE3' ' CB ' ' A' ' 97' ' ' ASP . 9.3 mmmt -130.13 158.01 40.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 1.045 HD23 ' CE2' ' A' ' 38' ' ' TYR . 1.7 tm? -60.8 133.75 56.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.855 ' N ' HD13 ' A' ' 103' ' ' LEU . 68.7 m-85 -94.6 112.23 23.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.877 ' CD1' HD12 ' A' ' 103' ' ' LEU . 19.8 m-30 -85.91 129.85 34.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.862 HG13 HD13 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -80.89 164.7 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.553 ' O ' HG22 ' A' ' 108' ' ' THR . 5.0 t -89.78 -46.09 8.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.388 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.553 HG22 ' O ' ' A' ' 107' ' ' THR . 0.6 OUTLIER 59.96 161.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.437 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.534 ' C ' ' O ' ' A' ' 108' ' ' THR . 0.2 OUTLIER 30.28 73.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.449 ' HB3' HG23 ' A' ' 107' ' ' THR . 11.0 t70 -173.98 -40.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 50.68 -166.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 90' ' ' LYS . 0.1 OUTLIER 173.85 132.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.6 mp 61.24 178.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.61 127.21 32.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 38.9 p -143.58 169.02 18.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -121.04 96.5 0.6 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 179.77 5.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.791 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.5 t -174.8 -49.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.037 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 43.9 t 60.55 117.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -112.78 164.07 13.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 0.793 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -173.23 165.89 4.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.043 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.57 131.7 6.7 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.472 1.108 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.2 t -176.46 83.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 110.001 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.11 176.69 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.015 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.31 115.66 1.58 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -164.84 114.59 1.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.757 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.12 142.18 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -165.62 160.13 17.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -138.19 164.82 28.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.554 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 12.6 mt -115.25 -114.0 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.637 ' HA ' HG22 ' A' ' 57' ' ' THR . 3.8 m-20 86.33 157.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.665 ' CD2' HG22 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -37.33 -35.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.454 ' O ' ' HB ' ' A' ' 18' ' ' THR . . . -77.84 -53.26 7.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -57.7 -55.96 27.71 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.917 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -56.99 -30.03 63.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.642 HG21 ' HB3' ' A' ' 82' ' ' ASN . 0.9 OUTLIER -66.01 -59.62 3.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.431 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.0 t -43.14 -29.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.99 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.457 HD12 HD11 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -77.94 -53.43 7.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.811 HD23 HG12 ' A' ' 79' ' ' VAL . 11.8 tp -44.08 -45.18 7.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.666 ' HB2' HD13 ' A' ' 87' ' ' LEU . 10.8 p -43.7 -51.86 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 3.1 mt-10 -63.32 -28.46 70.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.898 ' HG3' HD22 ' A' ' 51' ' ' LEU . 23.9 mmtt -71.3 -38.63 71.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.793 HG23 HD13 ' A' ' 42' ' ' LEU . 4.1 mt -76.18 -44.59 36.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.531 ' HB2' HD22 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -56.99 -40.09 75.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.331 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.512 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 3.4 mm-40 -64.41 -40.44 95.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.6 ' CE2' ' HG3' ' A' ' 32' ' ' LYS . 56.3 t80 -59.36 -34.8 72.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.805 HD21 ' CE2' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -61.11 -47.57 85.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -72.72 -15.72 61.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -83.63 -40.5 18.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.6 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 14.6 mmtp -93.54 -23.05 18.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' LEU . 62.1 mmtt 58.45 67.25 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.569 ' SD ' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -109.93 175.98 5.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.943 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -126.38 -1.51 6.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.7 p -169.47 142.23 2.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.805 ' CE2' HD21 ' A' ' 29' ' ' LEU . 27.8 p90 -169.78 163.41 9.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.945 ' CE2' HD23 ' A' ' 103' ' ' LEU . 42.5 m-85 -111.13 156.0 22.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.523 ' OE1' ' CB ' ' A' ' 81' ' ' LYS . 12.9 tt0 -54.34 -32.55 57.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.417 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 5.3 pt20 -71.66 -41.59 68.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.417 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 3.1 mm-40 -55.65 -18.41 7.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.793 HD13 HG23 ' A' ' 25' ' ' ILE . 10.4 mt -99.9 -20.94 15.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.431 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 1.0 OUTLIER -68.28 -9.01 44.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 40' ' ' GLN . 13.5 p -94.95 -9.35 34.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.396 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.418 HG11 ' CD1' ' A' ' 28' ' ' PHE . 23.6 t -80.72 100.62 5.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -47.69 -58.96 3.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 110.336 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.8 m -40.5 -42.31 1.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.508 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 85.1 mt -73.25 -56.13 5.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.0 mt-30 -46.19 -42.48 14.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.59 -24.46 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.898 HD22 ' HG3' ' A' ' 24' ' ' LYS . 4.0 tp -99.1 -47.19 5.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.525 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -68.58 -3.01 10.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' GLN . 30.0 t -109.41 -12.56 14.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 0.0 110.033 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -41.03 152.98 0.24 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.355 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.523 ' O ' ' C ' ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.02 -29.98 7.62 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.496 1.787 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.907 HG11 HD23 ' A' ' 17' ' ' LEU . 1.2 p 30.2 -99.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.788 ' N ' HG22 ' A' ' 56' ' ' VAL . 1.8 t -174.3 119.73 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.382 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.545 ' CD2' HG13 ' A' ' 56' ' ' VAL . 1.5 p80 -171.43 163.4 6.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.613 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.16 88.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.1 m -163.74 148.63 10.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.415 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.64 165.72 29.46 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.491 1.12 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.9 t -114.33 -69.38 0.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 110.036 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.21 125.39 13.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.16 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.532 ' O ' ' O ' ' A' ' 65' ' ' VAL . 12.4 mm-40 -75.27 -0.39 19.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.572 ' O ' ' CB ' ' A' ' 66' ' ' GLU . 4.2 p 44.81 102.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.572 ' CB ' ' O ' ' A' ' 65' ' ' VAL . 10.6 tt0 91.36 27.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.676 ' O ' HD12 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -85.98 45.2 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt 58.19 -177.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.77 -56.07 5.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.233 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.77 156.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.412 ' O ' HD11 ' A' ' 67' ' ' LEU . . . -81.34 -76.34 1.06 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.636 ' O ' HG23 ' A' ' 72' ' ' THR . 8.9 t -72.77 73.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.77 . . . . 0.0 110.409 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.7 t -133.73 68.73 1.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.947 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.482 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . -173.4 -52.14 0.05 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.492 1.12 . . . . 0.0 110.968 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.449 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 58.2 t -43.9 -45.09 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 0.787 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.442 ' HA ' ' O ' ' A' ' 52' ' ' ALA . . . -60.0 -40.94 90.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.352 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.494 ' NE2' ' NE2' ' A' ' 39' ' ' GLN . 5.0 mm-40 -57.83 -23.2 51.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 0.1 OUTLIER -83.58 -31.08 26.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.811 HG12 HD23 ' A' ' 21' ' ' LEU . 21.9 t -80.36 -39.71 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.489 ' HB3' ' CG ' ' A' ' 39' ' ' GLN . 2.1 m-85 -66.96 -59.03 3.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.523 ' CB ' ' OE1' ' A' ' 39' ' ' GLN . 2.4 ptpt -48.79 -37.98 20.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.378 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.642 ' HB3' HG21 ' A' ' 18' ' ' THR . 92.6 m-20 -65.88 -52.19 52.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.63 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -41.05 -64.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.658 HD11 ' HE1' ' A' ' 37' ' ' PHE . 3.8 mm? -38.25 -49.16 1.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.47 -49.13 56.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.484 HD22 ' N ' ' A' ' 86' ' ' LEU . 3.0 mm? -58.18 -55.4 35.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.666 HD13 ' HB2' ' A' ' 22' ' ' SER . 0.2 OUTLIER -44.22 -56.79 3.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.153 . . . . 0.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.492 ' HG2' ' CG2' ' A' ' 93' ' ' VAL . 0.2 OUTLIER -54.87 -30.17 57.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 110.277 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 86' ' ' LEU . 65.4 mm-40 -77.7 -25.54 49.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.22 -29.04 16.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 107' ' ' THR . . . 103.79 22.04 9.22 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.593 HD13 HD12 ' A' ' 87' ' ' LEU . 3.7 mt -83.33 -37.59 23.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.492 ' CG2' ' HG2' ' A' ' 88' ' ' GLN . 3.8 m -139.76 175.28 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 105' ' ' TYR . 25.9 p90 -164.45 151.5 11.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.971 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.614 ' CD ' ' CE1' ' A' ' 104' ' ' TYR . 58.8 mt-30 -114.72 127.13 55.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.571 ' HG3' ' CE2' ' A' ' 105' ' ' TYR . 0.5 OUTLIER -91.67 48.63 1.48 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 98' ' ' SER . 0.6 OUTLIER 173.32 89.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 97' ' ' ASP . 1.0 OUTLIER -37.83 106.61 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.973 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -175.47 168.46 40.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.26 -56.97 3.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -86.92 68.84 10.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -128.11 159.69 34.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.945 HD23 ' CE2' ' A' ' 38' ' ' TYR . 1.7 tm? -69.76 131.12 44.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.822 ' N ' HD13 ' A' ' 103' ' ' LEU . 53.0 m-85 -97.93 111.68 23.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.905 ' CE1' HD12 ' A' ' 103' ' ' LEU . 33.1 m-85 -88.18 144.02 26.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.486 HG13 HD23 ' A' ' 29' ' ' LEU . 1.3 t -76.15 162.11 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 92' ' ' LEU . 13.5 t -87.51 -35.29 18.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.375 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 108' ' ' THR . 9.3 t 36.79 49.43 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.406 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 108' ' ' THR . 10.7 tttt 39.98 51.12 2.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.254 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -169.68 112.35 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.81 163.94 31.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -137.1 -51.18 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.252 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 74.73 -66.63 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -45.64 120.51 2.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 93.9 p -136.34 152.67 50.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -52.51 130.62 38.57 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -42.32 0.52 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.462 1.77 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 67.7 m 56.59 81.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.67 130.1 56.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.958 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -172.31 158.88 4.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 0.723 . . . . 0.0 110.034 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.79 128.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.023 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.67 -140.63 0.27 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -155.95 -60.12 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 0.775 . . . . 0.0 109.999 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 44.05 88.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.042 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.94 159.07 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.121 . . . . 0.0 111.054 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -118.85 -63.93 1.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 0.777 . . . . 0.0 109.303 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.43 73.77 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -72.95 101.14 3.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -65.13 121.64 15.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 109.346 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -53.23 -173.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.499 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 22.5 t70 174.24 154.69 0.12 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.578 HD23 HG22 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -40.59 -29.73 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.45 ' N ' ' C ' ' A' ' 13' ' ' ASP . . . -91.47 -41.03 11.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -64.43 -51.11 55.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.054 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -69.05 -23.8 64.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.681 HG21 ' HB3' ' A' ' 82' ' ' ASN . 0.9 OUTLIER -66.03 -60.87 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 110.362 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 18' ' ' THR . 24.6 t -37.76 -36.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.965 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.917 HD13 HD11 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -68.99 -55.73 9.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.872 ' CD2' ' HB2' ' A' ' 52' ' ' ALA . 16.4 tp -45.36 -50.14 12.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.697 ' HA ' ' HB1' ' A' ' 83' ' ' ALA . 4.9 p -41.54 -50.87 4.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.986 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 7.0 mt-10 -62.5 -33.68 75.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.915 ' HG3' HD12 ' A' ' 51' ' ' LEU . 2.2 mmpt? -66.12 -44.42 84.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.826 HG23 HD13 ' A' ' 42' ' ' LEU . 7.3 mt -72.33 -53.88 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.38 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.522 ' HD2' ' CD1' ' A' ' 92' ' ' LEU . 1.5 pttm -47.41 -37.4 11.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 23' ' ' GLU . 2.5 mm-40 -68.81 -43.0 76.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.461 ' CE1' ' HE3' ' A' ' 32' ' ' LYS . 62.1 t80 -56.96 -21.03 27.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 111.04 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.588 HD22 ' CE2' ' A' ' 37' ' ' PHE . 11.6 mt -81.22 -48.24 12.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -65.22 -10.47 31.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -94.54 -50.4 5.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.461 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 16.7 mmtp -82.34 -18.16 43.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.51 ' N ' ' O ' ' A' ' 29' ' ' LEU . 1.2 mttt 50.28 67.44 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.538 ' SD ' ' HA ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -102.1 170.96 7.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 0.0 110.98 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -120.56 -7.3 9.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.37 143.14 2.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.98 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.588 ' CE2' HD22 ' A' ' 29' ' ' LEU . 8.5 p90 -169.26 171.96 7.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.882 ' CE2' HD23 ' A' ' 103' ' ' LEU . 37.4 m-85 -115.68 151.29 35.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.482 ' HB2' ' CE2' ' A' ' 104' ' ' TYR . 2.3 tt0 -57.2 -34.65 68.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.278 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.464 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 5.6 pt20 -67.17 -44.04 80.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.464 ' N ' ' CG ' ' A' ' 40' ' ' GLN . 4.9 mm-40 -52.66 -21.73 4.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.826 HD13 HG23 ' A' ' 25' ' ' ILE . 12.4 mt -94.8 -23.0 17.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.533 ' OE2' ' CD2' ' A' ' 80' ' ' PHE . 1.5 mm-40 -65.19 -11.88 45.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.4 p -93.32 -9.57 38.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.399 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.1 t -83.84 119.48 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 47' ' ' SER . 0.1 OUTLIER -60.12 -60.12 4.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 110.293 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' GLU . 64.7 m -38.36 -36.82 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.979 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.48 HD13 HG12 ' A' ' 25' ' ' ILE . 44.3 mt -79.83 -60.65 2.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.558 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.1 mt-30 -45.84 -47.3 15.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.258 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.65 -22.09 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.917 HD11 HD13 ' A' ' 20' ' ' LEU . 1.2 tt -98.73 -57.83 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.308 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.872 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . . . -61.23 -11.51 9.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.558 ' N ' ' O ' ' A' ' 49' ' ' GLN . 55.6 m -95.62 -21.43 18.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.521 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 3.4 mtt180 -44.56 154.79 0.4 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.673 ' C ' HG12 ' A' ' 56' ' ' VAL . 18.2 Cg_endo -75.02 170.33 20.66 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.944 HG11 HD23 ' A' ' 17' ' ' LEU . 0.7 OUTLIER 167.1 151.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.0 t -84.57 127.78 34.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.413 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.537 ' CE1' HG23 ' A' ' 75' ' ' VAL . 18.6 p80 -175.54 173.25 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.564 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.9 -52.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.2 t -61.95 147.85 45.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.43 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 137.44 99.84 0.53 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.8 m -123.33 -61.94 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 110.024 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER 62.47 135.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -61.95 79.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 63' ' ' ASP . 14.0 p -165.0 135.83 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -110.72 47.98 0.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.55 102.6 11.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.83 162.96 33.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.5 t70 175.57 127.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 70.55 169.19 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.96 -80.16 1.0 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.447 1.092 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.9 p -70.96 60.52 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 0.781 . . . . 0.0 110.402 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.37 -50.02 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.064 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.508 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . -51.42 -53.74 27.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.548 HG13 ' N ' ' A' ' 76' ' ' ALA . 11.7 p -43.37 -53.65 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.548 ' N ' HG13 ' A' ' 75' ' ' VAL . . . -58.37 -36.64 73.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.508 ' HB2' ' O ' ' A' ' 74' ' ' GLY . 8.8 mt-30 -60.84 -19.22 59.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.503 ' HB3' HD11 ' A' ' 14' ' ' LEU . 3.5 mpt_? -88.91 -34.27 17.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.733 HG12 HD23 ' A' ' 21' ' ' LEU . 22.1 t -76.8 -37.61 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.533 ' CD2' ' OE2' ' A' ' 43' ' ' GLU . 1.7 m-85 -66.06 -60.61 2.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.96 -37.47 44.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.681 ' HB3' HG21 ' A' ' 18' ' ' THR . 90.0 m-20 -65.26 -51.73 58.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.697 ' HB1' ' HA ' ' A' ' 22' ' ' SER . . . -41.33 -64.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.588 ' HB3' ' CE1' ' A' ' 104' ' ' TYR . 3.9 mm? -38.15 -50.4 1.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.455 ' HA ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -48.28 -52.3 21.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.491 HD22 ' N ' ' A' ' 86' ' ' LEU . 3.0 mm? -55.93 -57.47 11.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.614 HD13 ' HB2' ' A' ' 22' ' ' SER . 0.2 OUTLIER -43.21 -58.81 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.53 ' HG2' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -51.02 -40.98 59.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 86' ' ' LEU . 2.1 mt-10 -63.16 -25.3 68.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.471 ' HB2' HD12 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -92.48 -30.23 15.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.411 ' O ' ' CB ' ' A' ' 107' ' ' THR . . . 105.23 21.33 8.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.522 ' CD1' ' HD2' ' A' ' 26' ' ' LYS . 2.4 mt -80.51 -41.85 23.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.53 HG23 ' HG2' ' A' ' 88' ' ' GLN . 5.6 m -136.41 172.98 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.57 ' CD1' ' HB2' ' A' ' 105' ' ' TYR . 32.7 p90 -163.61 150.52 12.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.576 ' CD ' ' CE1' ' A' ' 104' ' ' TYR . 69.2 mt-30 -120.85 121.23 37.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -75.61 -50.02 16.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.24 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -84.28 107.68 16.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.87 114.02 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 170.81 130.08 1.18 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.2 t -52.88 -48.48 67.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 0.737 . . . . 0.0 110.035 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -88.35 61.08 6.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -123.96 166.9 14.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.978 HD12 ' CE1' ' A' ' 105' ' ' TYR . 1.6 tm? -78.22 131.63 37.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.85 ' N ' HD13 ' A' ' 103' ' ' LEU . 59.7 m-85 -94.52 120.42 34.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.978 ' CE1' HD12 ' A' ' 103' ' ' LEU . 19.8 m-85 -93.51 139.19 31.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.586 HG13 HD13 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -83.24 164.18 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.629 ' O ' HG22 ' A' ' 108' ' ' THR . 2.7 t -94.95 179.02 5.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.629 HG22 ' O ' ' A' ' 107' ' ' THR . 13.1 t 46.78 -172.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.387 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -90.43 -69.07 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 174.97 -176.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -73.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 113' ' ' LEU . 0.0 OUTLIER -136.5 152.6 50.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 112' ' ' ASP . 0.5 OUTLIER -39.71 107.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -178.12 62.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 88.7 p -170.36 169.63 7.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.997 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -73.11 -153.12 2.18 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -179.07 4.64 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.2 p -173.26 169.53 4.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.64 100.15 4.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.043 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.82 133.27 39.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 109.966 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 p -175.43 163.83 3.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.999 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.72 -172.83 34.45 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.32 170.97 7.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.754 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.46 101.97 4.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.949 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 39.62 -159.68 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 176.9 103.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 0.738 . . . . 0.0 109.266 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -157.37 -165.65 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -167.89 -42.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 10' ' ' ASP . 20.2 m-20 -38.26 97.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.527 ' HA ' HD12 ' A' ' 12' ' ' LEU . 0.7 OUTLIER -51.05 -179.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.734 ' OD1' HG21 ' A' ' 57' ' ' THR . 4.9 m-20 -178.14 161.68 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.014 HD12 ' O ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -41.78 -34.58 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.61 -33.42 13.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . -65.5 -46.34 85.65 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.701 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -72.68 -42.95 63.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 0.751 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.921 ' OG1' HG13 ' A' ' 79' ' ' VAL . 1.3 m -50.02 -51.22 43.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 t -39.99 -38.5 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.941 ' HG ' HD11 ' A' ' 51' ' ' LEU . 1.4 tp -70.65 -56.52 6.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.085 ' CD1' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -40.17 -50.44 2.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 21' ' ' LEU . 43.9 p -33.61 -58.53 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.05 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 5.4 mm-40 -59.8 -39.02 83.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.979 ' HG3' HD12 ' A' ' 51' ' ' LEU . 3.8 mmpt? -61.8 -48.78 79.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.085 HD11 ' CD1' ' A' ' 21' ' ' LEU . 5.3 mt -68.86 -40.95 81.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.348 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.514 ' HA ' HD22 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -64.97 -40.42 94.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 23' ' ' GLU . 1.4 mm-40 -61.2 -38.67 87.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 110.329 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.716 ' CE1' HG21 ' A' ' 45' ' ' VAL . 89.0 t80 -57.7 -37.75 74.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.665 HD11 ' CE2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -59.8 -48.62 80.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -70.42 -16.55 62.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.286 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.77 -40.68 22.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.581 ' HB2' ' SD ' ' A' ' 34' ' ' MET . 13.3 mmtp -94.54 -23.5 17.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' A' ' 29' ' ' LEU . 5.8 mttt 59.23 67.55 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.615 ' SD ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -112.38 173.86 6.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 111.038 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -120.97 -5.49 9.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.454 ' CB ' HD11 ' A' ' 103' ' ' LEU . 0.2 OUTLIER -168.82 138.53 2.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.665 ' CE2' HD11 ' A' ' 29' ' ' LEU . 33.1 p90 -162.19 -174.75 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 1.0 ' CE2' HD23 ' A' ' 103' ' ' LEU . 97.5 m-85 -127.79 149.45 50.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.697 ' HA ' HD23 ' A' ' 42' ' ' LEU . 41.0 tt0 -54.5 -18.82 4.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.488 ' O ' HG23 ' A' ' 44' ' ' THR . 7.2 pt20 -80.57 -13.72 58.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.31 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -82.41 -12.28 58.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.848 HD22 ' N ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -105.02 -21.73 13.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.483 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 1.2 mt-10 -68.87 -17.97 64.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 40' ' ' GLN . 44.9 p -88.76 -16.65 31.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 110.409 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.716 HG21 ' CE1' ' A' ' 28' ' ' PHE . 21.7 t -80.63 113.3 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' LEU . 1.5 mt-10 -54.44 -62.99 1.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.1 m -39.09 -31.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.011 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.664 HD12 ' HB ' ' A' ' 45' ' ' VAL . 81.1 mt -82.98 -61.02 1.97 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' A' ' 53' ' ' SER . 2.0 mm-40 -46.5 -47.05 19.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.96 -20.93 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.979 HD12 ' HG3' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -98.69 -54.72 2.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.775 ' HB2' HD11 ' A' ' 21' ' ' LEU . . . -65.82 -6.09 10.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 49' ' ' GLN . 49.9 m -104.84 -21.64 13.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 2.3 mtt180 -40.11 156.5 0.17 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.478 ' C ' ' CG2' ' A' ' 56' ' ' VAL . 18.3 Cg_endo -75.01 165.55 31.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.791 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.735 HG11 ' N ' ' A' ' 14' ' ' LEU . 1.5 t -153.24 -152.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.734 HG21 ' OD1' ' A' ' 13' ' ' ASP . 8.6 p -86.5 65.05 8.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.39 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -143.24 167.47 22.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.619 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.84 82.77 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.994 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.5 m -113.3 -58.8 2.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.431 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.16 -89.96 1.23 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.536 1.147 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.2 p -55.02 171.45 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 0.791 . . . . 0.0 110.009 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.635 ' HB3' HG12 ' A' ' 65' ' ' VAL . 6.5 m-20 -170.16 -49.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 59.16 53.96 5.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.635 HG12 ' HB3' ' A' ' 63' ' ' ASP . 5.0 p -156.32 133.97 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 59.28 52.7 5.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 mp -52.5 -67.99 0.21 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -74.08 82.16 1.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 169.76 -54.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.44 165.27 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -107.68 59.27 0.38 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.593 ' O ' HG23 ' A' ' 72' ' ' THR . 11.5 t -167.19 56.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.768 . . . . 0.0 110.402 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -95.03 152.98 17.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.044 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.92 -50.61 4.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.569 HG13 ' N ' ' A' ' 76' ' ' ALA . 14.7 p -56.61 -55.68 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.569 ' N ' HG13 ' A' ' 75' ' ' VAL . . . -60.53 -34.85 74.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -57.9 -19.73 31.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.525 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 67.1 mtt180 -89.78 -35.96 15.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.921 HG13 ' OG1' ' A' ' 18' ' ' THR . 7.1 t -72.88 -41.01 60.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.548 ' CE2' ' HB3' ' A' ' 52' ' ' ALA . 2.2 m-85 -65.89 -37.26 85.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 111.034 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.51 ' CB ' ' OE1' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -78.57 -39.57 37.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.619 HD22 HD11 ' A' ' 14' ' ' LEU . 92.7 m-20 -74.27 -27.25 60.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.527 ' HB3' ' CD1' ' A' ' 25' ' ' ILE . . . -71.17 -33.84 70.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.755 HD23 HD12 ' A' ' 87' ' ' LEU . 16.5 mt -72.32 -43.38 64.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.428 ' O ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -43.02 -52.7 5.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.336 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.612 HD12 ' O ' ' A' ' 82' ' ' ASN . 1.2 mp -55.27 -46.48 76.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.755 HD12 HD23 ' A' ' 84' ' ' LEU . 86.8 mt -49.76 -40.04 39.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.935 ' OE1' HG23 ' A' ' 93' ' ' VAL . 0.1 OUTLIER -66.86 -28.73 68.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.263 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -75.39 -28.7 59.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.664 ' HB2' HD12 ' A' ' 92' ' ' LEU . 3.8 mttt -85.05 -30.64 23.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.82 18.25 12.94 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.669 HD13 HD22 ' A' ' 87' ' ' LEU . 1.4 mt -76.91 -45.88 26.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 0.739 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.935 HG23 ' OE1' ' A' ' 88' ' ' GLN . 1.3 m -133.08 176.19 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.59 ' CZ ' ' HB3' ' A' ' 105' ' ' TYR . 11.5 p90 -162.94 153.15 16.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.528 ' NE2' ' CE2' ' A' ' 104' ' ' TYR . 15.6 mm-40 -117.25 140.79 49.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -103.53 -67.49 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.243 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.461 ' O ' ' O ' ' A' ' 98' ' ' SER . 0.3 OUTLIER -85.93 76.21 9.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.461 ' O ' ' O ' ' A' ' 97' ' ' ASP . 30.7 m 35.6 92.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.489 ' HA3' ' CG ' ' A' ' 95' ' ' GLN . . . -61.45 -134.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.556 ' O ' ' CB ' ' A' ' 101' ' ' ASP . 20.9 t 70.16 23.46 5.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 109.982 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 100' ' ' SER . 1.0 OUTLIER 152.33 -23.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.471 ' HB3' ' HA2' ' A' ' 99' ' ' GLY . 4.9 tppt? -78.52 152.34 32.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 1.0 HD23 ' CE2' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -37.11 122.91 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.759 ' N ' HD13 ' A' ' 103' ' ' LEU . 51.2 m-85 -94.93 112.14 23.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.805 ' CD1' HD12 ' A' ' 103' ' ' LEU . 20.6 m-30 -78.24 128.42 33.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -105.52 153.52 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.5 t -53.42 132.87 40.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.408 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.602 HG23 ' H ' ' A' ' 109' ' ' LYS . 0.2 OUTLIER -40.8 -59.77 1.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.39 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.602 ' H ' HG23 ' A' ' 108' ' ' THR . 0.0 OUTLIER -176.7 53.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -60.43 -52.1 66.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 58.29 160.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -166.47 88.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 66.23 140.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -165.97 -164.72 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -170.05 79.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.004 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 158.82 147.89 5.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -163.05 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.01 172.87 12.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.989 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.9 p -107.19 154.33 21.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.022 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 p -113.84 -58.42 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.788 . . . . 0.0 110.001 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.4 t 179.25 -58.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.985 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.22 -154.9 26.0 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 t -160.61 110.78 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.999 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.8 -60.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.91 -52.79 11.18 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 58.61 88.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -168.23 -177.98 3.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.248 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -100.99 95.01 6.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -51.44 129.5 25.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 12' ' ' LEU . 11.7 mt -120.82 167.6 12.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.7 ' HA ' HG12 ' A' ' 56' ' ' VAL . 17.6 t70 -156.16 156.49 34.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.832 ' N ' HG11 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -42.71 -36.3 1.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.38 -46.78 19.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.06 -54.48 37.08 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.86 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -58.52 -42.17 87.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.707 HG21 ' HB3' ' A' ' 82' ' ' ASN . 1.2 m -56.31 -58.93 5.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.391 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 18' ' ' THR . 7.4 t -36.89 -38.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.029 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 21' ' ' LEU . 1.9 tp -70.13 -57.98 4.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.829 HD13 HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -37.71 -55.04 1.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.693 ' HB2' HD13 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -37.6 -54.85 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.006 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.503 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . 6.0 mt-10 -62.37 -35.36 78.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.346 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.535 ' N ' ' O ' ' A' ' 21' ' ' LEU . 23.6 mmtt -66.77 -53.17 35.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.897 HG23 ' CD1' ' A' ' 42' ' ' LEU . 13.1 mt -59.64 -47.79 89.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.503 ' CE ' ' HA ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -55.84 -39.88 72.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.502 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 3.3 mm-40 -60.49 -40.61 91.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.739 ' CE1' HG21 ' A' ' 45' ' ' VAL . 58.6 t80 -58.53 -38.81 78.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.802 HD11 ' CE2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -56.87 -49.27 76.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -73.09 -15.46 61.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.32 -38.23 22.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.594 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 12.7 mmtp -96.02 -23.68 16.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' LEU . 3.9 mptt 59.07 67.0 0.96 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.591 ' SD ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -109.56 176.23 5.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -122.27 -6.6 8.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.294 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.552 ' HB2' HD11 ' A' ' 103' ' ' LEU . 2.4 p -168.51 148.37 4.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.983 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.802 ' CE2' HD11 ' A' ' 29' ' ' LEU . 31.1 p90 -174.31 171.69 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 1.079 ' CE2' HD23 ' A' ' 103' ' ' LEU . 51.9 m-85 -116.32 148.31 40.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.521 ' CG ' ' HB3' ' A' ' 80' ' ' PHE . 2.9 tt0 -50.13 -35.48 26.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -68.98 -40.36 78.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.42 ' CG ' ' HB2' ' A' ' 38' ' ' TYR . 4.5 mm-40 -56.04 -18.15 8.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.25 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.897 ' CD1' HG23 ' A' ' 25' ' ' ILE . 13.6 mt -100.29 -21.52 15.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.487 ' HA ' ' CZ ' ' A' ' 80' ' ' PHE . 0.9 OUTLIER -64.03 -12.2 36.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.3 p -94.28 -6.78 43.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.365 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.739 HG21 ' CE1' ' A' ' 28' ' ' PHE . 54.8 t -85.12 104.82 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.22 -52.97 57.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.7 m -46.41 -26.77 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 24' ' ' LYS . 14.2 mt -93.75 -60.26 1.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.488 ' O ' ' N ' ' A' ' 53' ' ' SER . 1.9 mm-40 -42.37 -44.55 3.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.03 -25.7 0.23 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.51 ' CD2' ' HA ' ' A' ' 21' ' ' LEU . 2.6 tp -97.95 -47.23 5.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.519 ' CB ' ' CE2' ' A' ' 80' ' ' PHE . . . -65.35 -6.71 10.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 49' ' ' GLN . 26.5 t -113.59 -12.71 12.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -51.7 158.46 1.57 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.454 ' C ' ' CG2' ' A' ' 56' ' ' VAL . 18.4 Cg_endo -75.0 169.35 22.82 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.832 HG11 ' N ' ' A' ' 14' ' ' LEU . 1.8 t -151.92 -140.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.428 ' H ' HG12 ' A' ' 56' ' ' VAL . 2.9 t -108.31 39.03 2.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.419 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -106.12 166.77 10.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.604 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.6 t -134.84 -49.36 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.017 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.3 t -166.32 146.44 6.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.402 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -164.09 -173.76 33.12 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.6 m -106.79 -175.8 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 109.999 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -111.26 -68.48 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 65.05 53.72 1.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.469 HG12 ' HB2' ' A' ' 67' ' ' LEU . 53.6 t -137.13 120.83 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -68.81 64.94 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.469 ' HB2' HG12 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -160.56 -173.56 4.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.07 100.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.52 170.19 12.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 26.9 m 67.18 125.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 108.2 121.86 4.65 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.474 1.109 . . . . 0.0 110.962 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 49.6 p -46.07 126.94 8.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 0.759 . . . . 0.0 110.333 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.45 ' O ' ' HB3' ' A' ' 76' ' ' ALA . 0.1 OUTLIER 179.96 -53.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.965 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 77' ' ' GLN . . . -46.37 -56.21 7.29 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.441 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 48.3 t -43.45 -44.24 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.533 0.784 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 73' ' ' SER . . . -62.51 -40.9 98.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 74' ' ' GLY . 7.5 mt-30 -56.04 -18.04 8.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.471 ' O ' ' ND2' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -90.39 -33.8 15.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.634 HG12 HD12 ' A' ' 21' ' ' LEU . 24.7 t -78.01 -39.83 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.521 ' HB3' ' CG ' ' A' ' 39' ' ' GLN . 1.7 m-85 -68.69 -57.51 5.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.58 -36.76 56.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.707 ' HB3' HG21 ' A' ' 18' ' ' THR . 75.7 m-20 -67.21 -49.57 64.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.663 ' CB ' HD12 ' A' ' 25' ' ' ILE . . . -44.49 -63.16 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.479 ' HG ' ' CE2' ' A' ' 104' ' ' TYR . 3.8 mm? -42.09 -51.65 4.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.435 ' HA ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -45.27 -56.26 5.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.354 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.573 HD11 HG22 ' A' ' 18' ' ' THR . 1.1 mt -54.75 -54.52 40.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.093 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.693 HD13 ' HB2' ' A' ' 22' ' ' SER . 0.0 OUTLIER -42.48 -57.89 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.496 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 0.3 OUTLIER -53.6 -33.11 53.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.325 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 86' ' ' LEU . 2.9 mm-40 -72.78 -30.06 63.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.54 -28.1 22.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 107' ' ' THR . . . 103.14 21.44 10.06 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.526 ' HA ' HG21 ' A' ' 107' ' ' THR . 7.4 mt -80.25 -39.26 29.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 88' ' ' GLN . 3.3 m -140.12 176.84 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.239 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.692 ' CE1' ' CB ' ' A' ' 105' ' ' TYR . 27.3 p90 -164.76 147.92 8.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.102 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -90.54 140.96 29.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.496 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 1.0 OUTLIER -114.18 65.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.243 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 96' ' ' ARG . 3.2 m-20 156.79 -24.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 73.3 132.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.042 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 155.13 133.11 1.67 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.12 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 m -45.13 -53.88 7.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 110.009 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -106.45 74.97 1.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.1 mmtm -126.74 177.35 6.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 1.079 HD23 ' CE2' ' A' ' 38' ' ' TYR . 2.0 tm? -76.48 138.79 40.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.919 ' N ' HD13 ' A' ' 103' ' ' LEU . 28.1 m-85 -109.31 126.98 53.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.991 ' CE1' HD12 ' A' ' 103' ' ' LEU . 6.0 m-85 -100.43 140.47 34.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.445 HG13 HD23 ' A' ' 29' ' ' LEU . 1.3 t -76.59 160.01 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.788 ' O ' HG22 ' A' ' 108' ' ' THR . 14.8 t -92.71 165.24 13.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.374 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.788 HG22 ' O ' ' A' ' 107' ' ' THR . 13.5 t 51.53 -167.7 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -122.63 154.59 37.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.3 t0 178.48 89.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -171.33 -163.86 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -120.18 93.94 4.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.3 tt 63.07 139.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -165.89 175.88 8.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 28.0 t -113.25 -64.97 1.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.142 . . . . 0.0 110.017 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 70.61 103.05 0.04 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.545 1.153 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 179.86 5.68 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.552 1.817 . . . . 0.0 110.947 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.0 m -139.62 151.45 46.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.72 -55.36 2.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.032 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 179.99 . . . . . . . . 0 0 . 1 stop_ save_